data_2lqg_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 2lqg _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' 1041 ' ' ALA . 60.1 mt . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 120.734 0.302 . . . . 0.0 111.439 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . 0.502 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 29.2 m -72.71 -22.28 20.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.83 -51.14 66.8 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.379 177.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . 0.41 ' HG3' ' HB1' ' A' 1037 ' ' ALA . 11.7 ptp180 -73.59 -30.52 63.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.609 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' A' 1038 ' ' ALA . 21.2 mt -61.09 -52.82 63.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.777 176.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 37.7 mt-10 -51.22 -54.38 26.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.231 0.539 . . . . 0.0 110.7 178.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -65.52 -44.81 85.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.102 -174.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.39 77.22 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.366 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -68.22 -36.25 79.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.352 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 94.0 mttt -61.71 -52.15 65.46 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.834 0.35 . . . . 0.0 110.489 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . 0.518 HE21 ' HA ' ' A' 1030 ' ' ALA . 12.4 pt20 -70.31 -27.39 64.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.666 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . 0.481 ' HA ' ' HB1' ' A' 1030 ' ' ALA . . . -67.26 -49.84 62.81 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . 0.509 ' HB3' HG22 ' A' ' 963' ' ' ILE . . . -58.39 -42.46 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.73 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.24 -52.76 60.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.284 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 47.0 m -66.64 -34.51 78.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.363 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . 0.522 ' HB3' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.55 -49.08 78.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.714 0.292 . . . . 0.0 110.847 178.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 45.5 m -56.37 -42.84 78.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.885 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -65.51 -42.25 92.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.054 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 931' ' ' THR . . . . . 0.403 ' HA ' ' HB3' ' A' 1023 ' ' CYS . 25.3 m -64.09 -42.77 96.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.687 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.598 ' O ' ' HG2' ' A' ' 936' ' ' GLN . 89.9 mt -59.27 -47.73 89.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 937' ' ' HIS . . . -61.51 -27.61 68.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.763 -177.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -87.71 -41.94 12.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.32 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' A' ' 952' ' ' LEU . . . -61.1 -51.58 68.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.815 -175.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . 0.598 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 13.8 pt20 -85.85 6.95 25.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.517 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' A' ' 933' ' ' ALA . 26.7 t60 . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 109.936 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.624 HD12 ' HB1' ' A' 1003 ' ' ALA . 1.8 tm? . . . . . 0 C--O 1.233 0.222 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' 1004 ' ' ALA . 62.8 mt -50.5 -64.81 0.69 Allowed 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.191 173.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 98.6 t -60.6 -36.79 72.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.6 -174.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -63.29 -38.4 91.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.197 0.523 . . . . 0.0 110.544 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 955' ' ' SER . . . . . 0.509 ' HG ' HD13 ' A' ' 951' ' ' LEU . 36.5 m -81.2 -32.62 33.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.718 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . 0.523 ' HB3' HG23 ' A' ' 932' ' ' ILE . 93.4 m -56.01 -47.24 78.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.191 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -66.4 -35.45 80.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.404 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -67.11 -52.38 42.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.065 0.459 . . . . 0.0 110.448 177.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 963' ' ' ILE . 71.6 t -59.83 -41.33 85.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.26 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -56.02 -33.92 65.36 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -86.69 -14.34 42.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.676 0.274 . . . . 0.0 111.441 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 958' ' ' ALA . 29.7 mm-40 -90.73 -25.83 19.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.815 0.341 . . . . 0.0 110.498 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.673 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 91.3 mt -53.37 -53.57 54.95 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.138 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . 0.673 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 49.2 Cg_exo -57.36 -34.42 97.88 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.042 1.828 . . . . 0.0 112.252 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.24 -42.05 96.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.633 ' O ' HG21 ' A' ' 970' ' ' VAL . 91.1 mt -56.49 -56.98 14.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.81 175.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 44.0 t -61.97 -36.29 73.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.237 -176.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -61.57 -44.76 96.43 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -63.71 -43.6 97.57 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.738 175.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.633 HG21 ' O ' ' A' ' 966' ' ' LEU . 70.1 t -56.23 -55.24 19.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.729 0.299 . . . . 0.0 110.643 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 971' ' ' ARG . 20.2 mtm180 -61.24 -34.18 74.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -65.32 -42.12 96.28 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.797 -0.715 . . . . 0.0 111.652 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 973' ' ' SER . . . . . 0.523 ' HB2' HD11 ' A' ' 986' ' ' LEU . 28.9 t -67.99 -36.6 80.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.694 0.283 . . . . 0.0 110.719 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 24.5 mt-30 -61.32 -40.45 94.24 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.278 0.561 . . . . 0.0 110.306 177.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -77.39 -47.32 20.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.877 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -129.46 81.6 69.58 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.51 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -71.88 -18.16 28.33 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.69 2.26 . . . . 0.0 111.657 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -104.76 22.83 14.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.695 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 29.0 t -112.21 115.38 50.12 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.448 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.16 -26.26 82.08 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.645 2.23 . . . . 0.0 111.661 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 14.5 m -66.13 -47.01 75.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.22 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -73.0 -38.94 66.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.572 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . 0.481 ' O ' HG13 ' A' ' 987' ' ' ILE . 54.0 mt-30 -57.26 -61.17 2.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.142 177.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' A' ' 984' ' ' LEU . 4.3 mm? -61.46 -32.06 72.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.3 -177.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -61.22 -49.93 75.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 110.519 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 973' ' ' SER . 1.2 tt -64.0 -46.45 84.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.848 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 983' ' ' GLN . 79.2 mt -58.83 -45.65 91.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.079 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -66.96 -45.36 77.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.873 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.14 89.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.575 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 50.6 m -59.33 -50.65 73.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.751 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . 0.714 ' HA ' HD11 ' A' ' 994' ' ' LEU . 48.4 mt-30 -67.96 -31.56 71.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.984 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 33.7 t -69.7 -32.19 70.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.354 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.522 ' HZ ' ' HB3' ' A' ' 928' ' ' ALA . 83.1 t80 -75.77 -35.57 60.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.804 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.714 HD11 ' HA ' ' A' ' 991' ' ' GLN . 70.4 mt -58.53 -38.39 77.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.592 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.652 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 46.5 tt0 -58.26 -60.43 10.2 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.11 -174.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . 0.652 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 77.7 Cg_endo -78.32 -27.63 5.23 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.845 1.697 . . . . 0.0 112.233 177.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.437 ' O ' HG22 ' A' 1001 ' ' VAL . . . -64.29 -47.0 89.22 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.147 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.69 -33.72 86.1 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.056 -0.593 . . . . 0.0 112.005 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.6 -42.59 98.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.735 0.302 . . . . 0.0 110.612 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 45.8 ttp -69.7 -32.56 71.22 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.09 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 997' ' ' GLY . 65.5 t -65.33 -50.25 74.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.982 0.42 . . . . 0.0 110.152 175.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.764 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1003 ' ' ALA . . . . . 0.624 ' HB1' HD12 ' A' ' 951' ' ' LEU . . . -65.23 -44.54 87.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.877 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.618 ' HA ' HD23 ' A' ' 952' ' ' LEU . . . -55.94 -52.59 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.801 -177.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 68.9 mttm -58.22 -33.02 68.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.555 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -87.79 -15.81 35.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.426 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1007 ' ' SER . . . . . 0.618 ' O ' HG13 ' A' 1011 ' ' ILE . 51.0 m -93.41 -21.16 19.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.062 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.581 HG21 ' O ' ' A' 1004 ' ' ALA . 72.6 t -52.39 -53.84 48.67 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.17 -11.37 30.18 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.784 1.656 . . . . 0.0 112.743 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 44.9 p -105.24 5.02 31.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.95 0.405 . . . . 0.0 111.22 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1011 ' ' ILE . . . . . 0.618 HG13 ' O ' ' A' 1007 ' ' SER . 60.9 mt -85.67 128.98 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -76.07 -36.24 59.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.666 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.86 115.13 18.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.0 0.429 . . . . 0.0 110.526 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.48 -39.61 91.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.511 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.86 -50.15 75.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 22.6 m -62.89 -41.69 99.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.097 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -58.88 -53.7 55.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.973 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 90.0 mmm -65.05 -36.67 85.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -65.82 -47.05 76.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.244 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.95 -38.04 84.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.627 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 37.5 m -56.6 -48.77 76.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -69.39 -41.29 76.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.677 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1023 ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 931' ' ' THR . 83.3 m -61.78 -49.62 75.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.338 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.4 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.82 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -68.32 -35.46 77.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.273 0.559 . . . . 0.0 110.103 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -73.02 -48.56 35.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.18 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1027 ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' 1031 ' ' LEU . 48.9 tp -61.75 -42.42 98.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -178.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.59 -41.59 97.37 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.362 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 23.7 m -74.68 -33.86 62.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.113 0.483 . . . . 0.0 110.371 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1030 ' ' ALA . . . . . 0.518 ' HA ' HE21 ' A' ' 923' ' ' GLN . . . -61.96 -43.8 98.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.159 175.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1031 ' ' LEU . . . . . 0.626 HD21 HD22 ' A' ' 994' ' ' LEU . 88.1 mt -66.54 -35.91 81.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.408 176.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.48 -42.42 78.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.148 0.499 . . . . 0.0 110.6 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -69.33 -57.16 5.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.474 175.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1034 ' ' LEU . . . . . 0.444 ' HG ' ' HB3' ' A' ' 990' ' ' SER . 28.8 tp -57.25 -45.48 83.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.184 -173.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1035 ' ' ARG . . . . . 0.447 ' HA ' HD13 ' A' ' 994' ' ' LEU . 48.1 ttt180 -60.76 -41.43 95.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.03 0.443 . . . . 0.0 110.904 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1036 ' ' THR . . . . . 0.513 HG23 ' HE2' ' A' 1040 ' ' LYS . 13.7 m -77.16 -32.22 56.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.28 0.562 . . . . 0.0 110.246 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1037 ' ' ALA . . . . . 0.41 ' HB1' ' HG3' ' A' ' 916' ' ' ARG . . . -64.13 -53.08 55.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.132 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1038 ' ' ALA . . . . . 0.446 ' HA ' HD21 ' A' ' 917' ' ' LEU . . . -65.61 -31.63 72.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.693 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.84 -50.07 75.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.289 177.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1040 ' ' LYS . . . . . 0.513 ' HE2' HG23 ' A' 1036 ' ' THR . 68.7 mttm -67.81 -33.17 74.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.247 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1041 ' ' ALA . . . . . 0.461 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -77.32 -22.86 51.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.705 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.319 -175.744 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.664 0.269 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . 0.549 HG22 ' HB2' ' A' ' 983' ' ' GLN . 25.3 m -80.88 -8.11 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.257 175.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.95 -35.89 82.17 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 174.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -63.81 -40.74 97.36 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.713 173.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . 0.727 ' HB3' HD23 ' A' ' 986' ' ' LEU . 47.1 mt -61.13 -42.32 98.32 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.217 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 70.4 mt-10 -53.71 -49.73 67.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.04 0.448 . . . . 0.0 110.583 176.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -68.56 -45.95 70.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.734 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -67.51 -39.31 85.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.63 -177.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.76 83.17 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.381 -0.128 . . . . 0.0 111.195 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 97.8 mttt -62.83 -48.03 80.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.682 0.277 . . . . 0.0 110.641 177.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -71.29 -34.53 70.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.752 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -64.65 -46.65 81.61 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . 0.664 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -58.17 -44.1 87.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.298 176.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.59 -57.77 9.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.241 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 62.5 m -57.67 -36.64 72.2 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.407 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . 0.536 ' O ' HG13 ' A' ' 932' ' ' ILE . . . -60.24 -43.54 95.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.167 175.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 28.2 m -60.4 -49.35 77.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.756 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -58.88 -37.45 76.58 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.714 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 931' ' ' THR . . . . . 0.752 ' HB ' ' HE1' ' A' 1000 ' ' MET . 13.9 m -68.48 -42.64 78.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.797 0.332 . . . . 0.0 110.332 178.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 928' ' ' ALA . 77.4 mt -62.38 -41.58 92.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.04 0.448 . . . . 0.0 110.186 177.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -61.39 -47.53 85.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.713 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.29 90.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.14 84.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.097 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -76.15 -36.14 58.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 53.0 m170 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -178.855 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 1.4 tm? . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 120.469 0.176 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . 0.538 ' HA ' ' HB1' ' A' 1003 ' ' ALA . 1.6 tt -61.8 -45.99 91.47 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 177.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . 0.738 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 66.8 t -60.67 -38.08 77.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.918 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -60.95 -39.96 91.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.302 0.573 . . . . 0.0 110.018 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 15.9 m -76.88 -43.04 37.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.259 -177.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . 0.738 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 32.1 p -65.57 -37.8 87.73 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 121.303 -0.159 . . . . 0.0 111.069 -176.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -63.31 -37.14 86.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.688 0.28 . . . . 0.0 110.636 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -68.25 -41.08 81.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.961 0.41 . . . . 0.0 110.449 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' ' 963' ' ' ILE . 81.3 t -66.81 -40.13 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.925 178.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -59.8 -25.44 64.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.636 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -84.58 -22.08 30.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.826 0.346 . . . . 0.0 110.786 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . 0.561 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 11.8 mm100 -85.71 -25.58 26.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.743 -178.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.682 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 78.9 mt -54.04 -53.24 60.69 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.839 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . 0.682 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 36.6 Cg_exo -59.08 -33.19 98.46 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.0 1.8 . . . . 0.0 112.114 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.62 -37.55 85.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.883 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.615 ' O ' HG22 ' A' ' 970' ' ' VAL . 72.6 mt -59.07 -58.67 7.61 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.965 173.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 38.3 t -62.17 -34.13 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.079 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -58.58 -45.46 89.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.93 -41.73 93.17 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.029 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 966' ' ' LEU . 46.3 t -56.55 -51.14 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 121.063 0.459 . . . . 0.0 110.196 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -64.4 -28.22 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.971 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -66.92 -42.87 92.54 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.689 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 32.7 t -68.02 -36.07 79.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.086 0.469 . . . . 0.0 109.897 176.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 51.2 mt-30 -70.97 -21.71 62.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 177.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -69.64 -60.27 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.134 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -140.2 91.75 9.84 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.952 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.86 -13.5 36.93 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.657 2.238 . . . . 0.0 111.364 176.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -81.71 -5.6 58.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.396 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 30.6 t -108.56 109.33 61.41 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.665 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . 0.534 ' HA ' ' HG2' ' A' ' 983' ' ' GLN . 21.6 Cg_exo -65.64 -21.29 59.34 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.591 2.194 . . . . 0.0 111.223 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 14.6 m -73.84 -34.15 64.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.205 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -76.42 -45.72 30.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.027 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . 0.549 ' HB2' HG22 ' A' ' 914' ' ' VAL . 11.5 pt20 -65.5 -25.4 67.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.698 -177.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . 0.694 HD22 HD13 ' A' ' 987' ' ' ILE . 0.2 OUTLIER -57.51 -33.6 68.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.501 178.092 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -65.54 -24.26 67.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.037 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . 0.727 HD23 ' HB3' ' A' ' 917' ' ' LEU . 1.2 tt -81.35 -43.67 18.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . 0.694 HD13 HD22 ' A' ' 984' ' ' LEU . 62.8 mt -57.88 -50.66 77.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.614 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.08 97.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.788 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.83 95.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.23 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.607 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 37.1 m -58.81 -49.97 75.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.997 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . 0.623 ' HA ' HD13 ' A' ' 994' ' ' LEU . 77.3 mt-30 -67.31 -37.85 84.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.056 0.455 . . . . 0.0 110.682 -178.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 22.7 t -71.41 -16.24 62.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.786 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.403 ' HZ ' ' HB1' ' A' ' 928' ' ' ALA . 86.6 t80 -90.04 -32.6 16.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.345 177.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.623 HD13 ' HA ' ' A' ' 991' ' ' GLN . 79.0 mt -56.09 -42.95 77.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.244 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.858 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 48.5 tp60 -59.38 -60.79 9.41 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.906 -175.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . 0.858 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 10.3 Cg_exo -72.23 -32.3 10.71 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.91 1.74 . . . . 0.0 112.016 178.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.416 ' O ' HG21 ' A' 1001 ' ' VAL . . . -62.09 -48.59 82.11 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.246 -178.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.06 -33.71 86.6 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.986 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -67.2 -32.62 73.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.535 0.207 . . . . 0.0 111.095 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1000 ' ' MET . . . . . 0.752 ' HE1' ' HB ' ' A' ' 931' ' ' THR . 8.4 tmm? -78.41 -33.44 48.66 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.416 HG21 ' O ' ' A' ' 997' ' ' GLY . 98.7 t -57.62 -48.32 83.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.761 172.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.05 -45.99 83.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.828 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1003 ' ' ALA . . . . . 0.538 ' HB1' ' HA ' ' A' ' 952' ' ' LEU . . . -58.47 -41.92 86.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.17 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.53 ' O ' HG22 ' A' 1008 ' ' VAL . . . -59.47 -53.67 55.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.795 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.39 -38.13 82.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.598 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -71.98 -24.8 61.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.494 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 41.0 m -86.91 -21.57 26.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.083 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' 1004 ' ' ALA . 94.8 t -50.48 -56.67 16.92 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1009 ' ' PRO . . . . . 0.408 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 43.1 Cg_endo -68.4 -20.82 41.64 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.922 1.748 . . . . 0.0 113.185 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 47.2 p -87.12 -11.88 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.357 . . . . 0.0 111.674 -177.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1011 ' ' ILE . . . . . . . . . . . . . 84.3 mt -94.58 137.15 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -83.85 -27.86 28.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.36 -174.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 12.6 t70 -75.84 94.23 3.3 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -66.75 -28.98 68.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.621 -172.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -62.29 -51.32 68.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.975 0.417 . . . . 0.0 110.49 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 16.5 m -72.09 -32.32 66.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.675 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.422 ' HB2' HG11 ' A' 1008 ' ' VAL . . . -62.55 -47.79 82.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 94.5 mmm -67.7 -22.49 65.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 111.013 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -66.48 -36.53 82.97 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 20.1 mt -64.85 -45.25 86.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.753 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -38.19 69.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.076 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -73.55 -49.49 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 83.2 m -61.56 -43.14 99.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.57 71.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.121 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -68.96 -49.03 61.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -61.93 -44.58 96.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.654 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1027 ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' 1031 ' ' LEU . 54.7 tp -63.98 -39.68 94.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.442 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.67 98.49 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.3 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 22.4 m -71.59 -33.65 69.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.044 0.45 . . . . 0.0 110.375 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.21 -49.56 76.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.022 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1031 ' ' LEU . . . . . 0.496 HD23 HD23 ' A' ' 994' ' ' LEU . 95.6 mt -62.51 -34.23 76.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.797 177.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.58 -55.15 37.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.4 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.14 -27.46 48.19 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.901 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.01 -46.65 89.91 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -65.67 -36.02 82.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.735 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 41.1 m -67.32 -48.87 66.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.1 85.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.18 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1038 ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 917' ' ' LEU . . . -59.47 -39.26 83.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.283 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -59.96 -52.56 64.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -72.98 -33.74 66.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.128 -177.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1041 ' ' ALA . . . . . 0.435 ' HB3' HG13 ' A' ' 914' ' ' VAL . . . -68.72 -29.74 68.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.149 0.499 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1042 ' ' GLN . . . . . 0.601 ' HA ' HD11 ' A' ' 987' ' ' ILE . 63.4 tt0 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.772 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 N--CA 1.465 0.291 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . 0.467 HG13 ' HG3' ' A' ' 983' ' ' GLN . 32.8 m -79.75 -27.76 12.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.465 175.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . 0.421 ' O ' ' HD2' ' A' ' 919' ' ' HIS . 6.4 tp-100 -63.85 -46.99 82.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.745 176.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -63.57 -43.75 96.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.773 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . 0.601 ' HG ' HD22 ' A' ' 986' ' ' LEU . 25.4 tp -58.19 -45.6 87.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.942 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -53.12 -57.77 9.3 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.998 0.427 . . . . 0.0 111.169 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . 0.421 ' HD2' ' O ' ' A' ' 915' ' ' GLN . 67.7 m-70 -65.57 -41.28 93.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.181 -175.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . 0.769 ' HA ' HE21 ' A' ' 923' ' ' GLN . . . -62.58 -45.1 94.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.153 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.17 84.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.28 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . 0.415 ' HG3' HG12 ' A' ' 970' ' ' VAL . 53.2 mtmt -65.38 -40.09 93.06 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . 0.769 HE21 ' HA ' ' A' ' 920' ' ' ALA . 30.3 pt20 -74.32 -30.67 62.15 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.331 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -67.02 -47.23 72.08 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . 0.584 ' HB2' HD23 ' A' ' 966' ' ' LEU . . . -59.68 -41.19 90.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.591 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 930' ' ' GLN . . . -65.27 -51.51 60.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.979 178.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 26.3 t -61.03 -37.22 81.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.486 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . 0.456 ' O ' HG13 ' A' ' 932' ' ' ILE . . . -60.82 -45.22 95.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.081 175.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 52.8 m -59.35 -43.52 92.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.525 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 926' ' ' ALA . 15.9 mm100 -62.2 -39.84 94.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.572 177.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 931' ' ' THR . . . . . 0.715 ' HB ' ' HE3' ' A' 1000 ' ' MET . 15.9 m -69.03 -40.38 78.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.583 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.457 ' O ' ' HG3' ' A' ' 936' ' ' GLN . 70.3 mt -61.03 -50.58 79.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.36 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -58.73 -43.07 90.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.76 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.62 95.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.596 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.92 97.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.145 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 97.2 mt-30 -62.33 -41.06 98.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.956 0.408 . . . . 0.0 110.93 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 -177.803 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--O 1.235 0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' 1004 ' ' ALA . 58.9 mt -57.83 -46.1 85.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.814 171.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.62 -50.6 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.106 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.14 -47.04 86.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.024 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 955' ' ' SER . . . . . 0.465 ' O ' HG22 ' A' ' 959' ' ' VAL . 17.5 m -65.85 -49.79 66.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.9 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 88.4 m -59.51 -37.78 79.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.717 0.294 . . . . 0.0 111.25 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -62.8 -47.32 83.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.641 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -66.23 -41.64 89.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.196 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 963' ' ' ILE . 87.7 t -65.16 -41.56 92.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.718 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.97 -21.37 63.44 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.577 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.5 -31.27 21.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . 0.699 ' HG3' ' HG3' ' A' ' 996' ' ' PRO . 15.9 mm-40 -87.1 -28.36 22.56 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -176.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.662 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 72.6 mt -52.23 -53.94 47.07 Favored Pre-proline 0 N--CA 1.468 0.439 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . 0.662 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 51.5 Cg_exo -55.25 -42.03 72.61 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.172 1.915 . . . . 0.0 112.37 178.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 91.8 mt -69.69 -35.55 75.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.014 0.435 . . . . 0.0 110.293 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.584 HD23 ' HB2' ' A' ' 925' ' ' ALA . 51.2 tp -63.67 -51.77 63.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.096 175.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.18 -39.35 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.051 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -62.19 -38.68 90.03 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 174.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -61.08 -49.15 81.54 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.626 174.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.586 ' HA ' ' HG ' ' A' ' 986' ' ' LEU . 48.8 t -55.07 -55.03 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.007 0.432 . . . . 0.0 110.766 178.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -67.31 -27.78 67.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.182 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -66.56 -40.01 94.07 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.761 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 973' ' ' SER . . . . . 0.61 ' OG ' ' HB2' ' A' ' 986' ' ' LEU . 17.5 m -70.92 -32.54 69.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 0.0 110.451 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 96.0 mt-30 -67.63 -35.76 79.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.81 99.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.069 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -133.11 75.45 71.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.318 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.59 2.03 6.84 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.8 2.333 . . . . 0.0 113.568 -172.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -115.48 0.63 13.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.983 0.42 . . . . 0.0 110.576 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 50.0 m -105.66 122.84 41.3 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.185 -174.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -56.52 -36.7 97.95 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.212 2.608 . . . . 0.0 113.169 -177.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 23.2 t -64.94 -34.22 77.91 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.035 0.445 . . . . 0.0 110.316 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 973' ' ' SER . . . -73.8 -42.9 60.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.153 177.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . 0.467 ' HG3' HG13 ' A' ' 914' ' ' VAL . 0.0 OUTLIER -55.16 -51.59 66.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.146 177.541 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . 0.469 HD12 HD11 ' A' ' 987' ' ' ILE . 4.4 mm? -65.83 -23.26 66.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.751 -177.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.65 99.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.465 178.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . 0.61 ' HB2' ' OG ' ' A' ' 973' ' ' SER . 0.6 OUTLIER -71.4 -44.01 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.892 177.644 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . 0.469 HD11 HD12 ' A' ' 984' ' ' LEU . 67.1 mt -57.74 -48.22 84.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.066 -178.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.69 88.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 966' ' ' LEU . . . -61.79 -40.94 96.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.291 -178.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.573 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 50.3 m -60.92 -50.18 74.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . 0.682 ' HA ' HD11 ' A' ' 994' ' ' LEU . 47.7 mt-30 -64.88 -39.99 94.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.827 -178.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 49.3 m -65.09 -35.4 81.02 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.905 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -71.14 -29.54 65.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.706 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.682 HD11 ' HA ' ' A' ' 991' ' ' GLN . 84.2 mt -59.62 -36.61 76.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.089 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.593 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 53.0 tt0 -57.17 -63.36 3.76 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.151 -176.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . 0.699 ' HG3' ' HG3' ' A' ' 962' ' ' GLN . 72.5 Cg_endo -76.25 -27.04 8.41 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.575 1.516 . . . . 0.0 112.213 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.456 ' O ' HG22 ' A' 1001 ' ' VAL . . . -60.37 -49.71 75.62 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.942 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.74 -30.3 74.54 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.204 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 63.4 mttm -62.79 -43.59 98.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.668 0.271 . . . . 0.0 110.679 178.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1000 ' ' MET . . . . . 0.715 ' HE3' ' HB ' ' A' ' 931' ' ' THR . 43.4 ttp -72.94 -30.26 63.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.349 -177.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 997' ' ' GLY . 65.7 t -61.24 -46.66 96.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.14 0.495 . . . . 0.0 109.987 174.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -68.54 -45.07 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.77 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.05 92.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.041 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.11 -52.09 67.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.64 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -60.45 -38.67 84.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.244 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -81.65 -19.53 41.51 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -175.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1007 ' ' SER . . . . . 0.489 ' O ' HG13 ' A' 1011 ' ' ILE . 8.7 t -88.6 -20.85 24.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.809 0.337 . . . . 0.0 110.465 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.747 HG11 ' HB1' ' A' 1017 ' ' ALA . 54.3 t -50.3 -53.14 47.82 Favored Pre-proline 0 CA--C 1.545 0.771 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.076 177.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.31 -16.98 24.58 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.965 1.777 . . . . 0.0 113.896 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 35.2 p -90.88 -31.29 16.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 111.46 -178.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1011 ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' 1007 ' ' SER . 87.0 mt -62.31 -45.51 98.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.051 0.453 . . . . 0.0 110.687 177.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 60.11 28.16 17.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.935 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1013 ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' 1014 ' ' GLN . 17.6 t70 -95.5 -14.64 23.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.378 0.609 . . . . 0.0 110.07 177.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.523 ' O ' ' HG3' ' A' 1018 ' ' MET . 27.1 mt-30 69.52 -71.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.341 -177.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -59.91 -53.59 56.13 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -173.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 15.0 m -63.16 -35.64 80.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.193 0.521 . . . . 0.0 110.657 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.747 ' HB1' HG11 ' A' 1008 ' ' VAL . . . -69.3 -36.34 76.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.367 -178.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1018 ' ' MET . . . . . 0.523 ' HG3' ' O ' ' A' 1014 ' ' GLN . 67.6 mtt -65.51 -32.28 73.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.052 0.453 . . . . 0.0 110.232 177.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -65.55 -43.36 90.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.802 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.06 -45.26 91.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.261 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 12.6 t -61.87 -37.95 86.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.697 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -68.07 -44.75 75.61 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.929 0.395 . . . . 0.0 110.652 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 70.3 m -64.3 -45.41 88.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.9 -29.71 70.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.963 0.411 . . . . 0.0 111.125 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -61.9 -48.87 78.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.153 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -70.33 -52.14 24.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.979 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.98 -44.89 83.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.37 -176.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -57.82 -46.27 92.55 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.786 -178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 10.5 m -80.08 -25.8 39.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.878 0.371 . . . . 0.0 111.183 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -64.45 -45.31 88.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.39 -31.86 72.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.756 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.23 -55.7 31.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.577 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -81.68 -17.47 47.86 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.913 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.19 -42.66 99.49 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -62.74 -42.84 99.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.351 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 17.4 m -62.06 -45.01 95.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.195 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -66.72 -43.84 83.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.16 77.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.977 0.418 . . . . 0.0 110.671 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.82 -57.35 13.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.34 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 86.1 mttt -63.15 -32.69 74.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.446 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -69.01 -30.14 68.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.689 -178.328 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 121.073 0.463 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . 0.593 HG23 HE21 ' A' ' 915' ' ' GLN . 20.0 m -87.58 -27.39 5.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.986 -177.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . 0.593 HE21 HG23 ' A' ' 914' ' ' VAL . 13.4 mm-40 -68.45 -41.84 79.66 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.144 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -67.56 -27.68 67.15 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.64 -52.09 35.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.112 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -53.81 -40.15 66.1 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 176.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -62.11 -50.38 72.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.277 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . 0.518 ' HA ' HE21 ' A' ' 923' ' ' GLN . . . -67.45 -42.66 82.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.2 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -58.74 -48.07 82.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -67.57 -42.39 82.64 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.351 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . 0.518 HE21 ' HA ' ' A' ' 920' ' ' ALA . 28.4 pt20 -73.64 -29.14 62.16 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.746 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.46 83.25 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.73 81.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.316 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -64.56 -52.27 58.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.194 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 60.2 m -63.03 -35.79 81.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.861 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . 0.546 ' HB1' ' HZ ' ' A' ' 993' ' ' PHE . . . -59.87 -49.66 76.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.183 175.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 25.3 m -57.46 -43.21 83.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.623 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.74 -47.84 84.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.617 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 931' ' ' THR . . . . . 0.595 ' HB ' ' HE2' ' A' 1000 ' ' MET . 19.0 m -62.78 -42.06 99.53 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.87 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.617 HD11 HD12 ' A' ' 963' ' ' ILE . 72.1 mt -65.25 -45.27 94.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.719 0.295 . . . . 0.0 111.296 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.37 92.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.599 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -66.61 -40.4 88.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.494 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.528 ' HB2' ' HG ' ' A' ' 952' ' ' LEU . . . -56.87 -56.67 18.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.527 -178.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -71.08 -18.17 62.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.88 -175.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 120.776 0.322 . . . . 0.0 110.68 178.784 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 121.039 0.447 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . 0.528 ' HG ' ' HB2' ' A' ' 935' ' ' ALA . 42.0 tp -55.63 -45.6 77.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.109 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . 0.736 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 53.2 t -65.25 -39.57 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -60.39 -41.09 93.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 48.8 m -72.09 -47.44 51.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.183 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . 0.736 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 22.3 p -65.61 -25.91 67.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.982 0.42 . . . . 0.0 110.652 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 953' ' ' VAL . 19.6 tptp -62.64 -46.14 89.6 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.929 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -66.47 -52.29 47.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.409 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 963' ' ' ILE . 60.7 t -55.35 -39.25 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.365 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -58.44 -27.1 64.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.528 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -81.64 -35.25 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.88 0.372 . . . . 0.0 110.75 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . 0.543 ' HA ' HD12 ' A' ' 965' ' ' LEU . 1.8 mp0 -76.51 -17.95 58.99 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.617 HD12 HD11 ' A' ' 932' ' ' ILE . 72.3 mt -56.31 -57.0 25.57 Favored Pre-proline 0 N--CA 1.47 0.543 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.1 -31.81 93.84 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.987 1.791 . . . . 0.0 111.917 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 962' ' ' GLN . 97.9 mt -63.0 -42.47 99.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.537 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.603 ' O ' HG21 ' A' ' 970' ' ' VAL . 57.9 mt -60.0 -59.28 5.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.617 175.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . 0.489 ' O ' ' HG2' ' A' ' 971' ' ' ARG . 52.2 t -60.63 -42.74 92.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.749 -173.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -69.73 -30.29 67.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.627 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.24 -42.21 97.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.462 -0.875 . . . . 0.0 110.933 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.603 HG21 ' O ' ' A' ' 966' ' ' LEU . 41.3 t -60.83 -42.62 93.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.949 0.404 . . . . 0.0 109.913 174.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 967' ' ' VAL . 27.5 mmt180 -60.62 -37.57 81.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -65.98 -40.36 95.24 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.599 175.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 47.4 t -62.57 -43.33 99.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.861 0.362 . . . . 0.0 110.77 177.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.559 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 87.3 mt-30 -65.3 -22.81 66.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -78.47 -47.16 18.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.494 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -134.36 88.82 29.04 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.609 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . 0.516 ' HA ' ' NE2' ' A' ' 983' ' ' GLN . 48.1 Cg_endo -69.75 -23.47 30.79 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.991 2.46 . . . . 0.0 113.002 -177.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -93.52 -35.14 13.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.65 0.262 . . . . 0.0 110.899 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 979' ' ' SER . . . . . 0.419 ' HA ' ' HD2' ' A' ' 980' ' ' PRO . 46.6 t -67.82 119.13 64.26 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.997 0.427 . . . . 0.0 111.192 -176.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 979' ' ' SER . 24.7 Cg_endo -62.61 -29.37 77.89 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.869 2.38 . . . . 0.0 111.546 176.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 3.9 m -61.95 -35.9 79.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.766 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -81.38 -42.71 20.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.68 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . 0.516 ' NE2' ' HA ' ' A' ' 977' ' ' PRO . 81.1 mm-40 -63.82 -39.73 94.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.272 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 980' ' ' PRO . 15.2 tp -57.2 -32.9 66.95 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.328 -177.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.72 99.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -47.37 61.16 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . 0.443 HG22 ' HB2' ' A' 1042 ' ' GLN . 78.5 mt -57.28 -46.64 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.09 -178.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.92 82.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.855 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.02 84.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.976 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.63 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 44.1 m -60.74 -46.98 88.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.804 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . 0.558 ' HA ' HD11 ' A' ' 994' ' ' LEU . 47.0 mt-30 -66.42 -38.73 88.11 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.069 0.462 . . . . 0.0 110.817 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 29.0 t -74.87 -6.72 50.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.58 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.546 ' HZ ' ' HB1' ' A' ' 928' ' ' ALA . 91.6 t80 -98.12 -29.95 12.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 109.974 176.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 990' ' ' SER . 81.2 mt -58.42 -42.44 87.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.268 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.796 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 24.0 tp60 -63.48 -60.0 10.46 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.03 -177.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . 0.796 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 18.5 Cg_exo -66.97 -39.97 12.91 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.025 1.817 . . . . 0.0 111.976 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.44 ' O ' HG21 ' A' 1001 ' ' VAL . . . -61.92 -43.47 99.14 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.348 -178.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.68 -37.86 94.17 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.058 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -70.97 -29.03 64.91 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.399 -0.12 . . . . 0.0 111.191 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1000 ' ' MET . . . . . 0.595 ' HE2' ' HB ' ' A' ' 931' ' ' THR . 50.3 ttp -72.96 -33.59 65.98 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 997' ' ' GLY . 75.9 t -60.52 -47.64 91.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.77 174.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -62.57 -51.56 66.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.964 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -60.98 -38.99 87.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.61 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.558 ' O ' HG21 ' A' 1008 ' ' VAL . . . -62.96 -53.23 57.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.737 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.29 -35.1 76.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.379 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -76.65 -20.6 56.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.102 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1007 ' ' SER . . . . . 0.449 ' O ' HG13 ' A' 1011 ' ' ILE . 24.9 t -87.95 -23.29 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.494 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.558 HG21 ' O ' ' A' 1004 ' ' ALA . 77.5 t -51.1 -50.65 74.12 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1009 ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' 1008 ' ' VAL . 36.0 Cg_endo -67.05 -24.78 44.72 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.921 1.747 . . . . 0.0 113.272 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 74.6 p -84.1 -5.1 59.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.37 0.605 . . . . 0.0 110.603 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1011 ' ' ILE . . . . . 0.557 HG22 ' H ' ' A' 1013 ' ' ASP . 86.5 mt -99.5 133.39 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.661 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -111.56 23.25 14.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.236 0.541 . . . . 0.0 110.945 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1013 ' ' ASP . . . . . 0.557 ' H ' HG22 ' A' 1011 ' ' ILE . 31.6 t70 -111.4 109.54 19.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.124 170.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -55.78 -44.63 77.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.159 -173.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.59 73.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.731 0.301 . . . . 0.0 111.193 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 22.6 m -66.49 -41.33 89.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.085 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.49 -49.99 74.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.273 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1018 ' ' MET . . . . . 0.753 ' HE2' ' HA ' ' A' 1018 ' ' MET . 20.5 mmt -68.15 -36.32 79.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.667 -178.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -59.47 -50.51 73.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.343 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.01 -42.13 93.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.297 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 38.0 m -59.13 -42.8 91.49 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.836 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.96 -46.96 40.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.615 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 84.5 m -57.71 -50.82 71.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.266 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.26 77.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.869 0.366 . . . . 0.0 111.001 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -63.89 -45.82 87.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.179 0.514 . . . . 0.0 110.392 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -72.8 -37.61 67.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.492 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1027 ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' A' 1031 ' ' LEU . 55.8 tp -59.72 -38.11 80.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.52 177.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.0 -46.59 93.5 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.318 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 37.1 m -72.17 -33.81 67.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.892 0.377 . . . . 0.0 110.774 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -57.55 -46.2 84.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.825 175.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1031 ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' 1027 ' ' LEU . 96.3 mt -65.59 -34.6 78.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.764 176.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -59.71 -59.22 5.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.453 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -76.76 -19.46 57.6 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.554 -0.459 . . . . 0.0 111.193 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.61 -50.06 68.66 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 172.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -62.1 -42.02 98.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.088 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 38.4 m -59.57 -45.87 90.59 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.079 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -68.68 -50.73 48.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.068 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -56.75 -44.44 81.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.414 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -55.93 -54.07 49.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.995 0.426 . . . . 0.0 111.411 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1040 ' ' LYS . . . . . 0.66 ' HB2' ' HZ2' ' A' 1040 ' ' LYS . 10.2 mtmp? -73.84 -15.81 61.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.86 -174.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -91.25 -30.72 16.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.926 0.394 . . . . 0.0 110.693 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1042 ' ' GLN . . . . . 0.443 ' HB2' HG22 ' A' ' 987' ' ' ILE . 63.8 tt0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.873 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.611 0.243 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . 0.52 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 35.6 m -70.58 -30.52 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.153 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -63.99 -36.28 83.46 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.482 0.658 . . . . 0.0 110.033 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -68.96 -34.22 74.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.92 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . 0.535 HD11 ' HA ' ' A' 1038 ' ' ALA . 20.2 mt -62.56 -47.32 84.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.025 174.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 66.0 mt-10 -49.26 -58.02 5.78 Favored 'General case' 0 C--N 1.332 -0.157 0 O-C-N 123.633 0.583 . . . . 0.0 110.64 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -69.25 -34.76 75.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.532 -175.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -70.31 -41.27 73.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.259 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.09 79.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . 0.515 ' CG ' HG11 ' A' ' 970' ' ' VAL . 54.6 mtpt -66.44 -46.07 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.772 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -71.13 -31.19 67.42 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.371 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.25 75.33 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 175.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . 0.48 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.22 -41.08 87.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.54 176.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.95 -53.94 42.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.985 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 39.5 m -60.6 -36.1 77.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.87 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . 0.595 ' HB3' ' HZ ' ' A' ' 993' ' ' PHE . . . -62.23 -48.52 79.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.274 176.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 26.6 m -59.57 -42.06 91.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.475 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -63.28 -44.37 95.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 931' ' ' THR . . . . . 0.425 ' HB ' ' HE1' ' A' 1000 ' ' MET . 26.6 m -65.4 -40.88 93.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.356 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.607 HG21 ' SG ' ' A' ' 956' ' ' CYS . 45.6 mt -58.3 -49.39 82.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.61 175.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -57.41 -42.78 82.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.189 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -71.64 -36.31 70.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.935 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -64.7 -35.77 82.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.699 -178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 13.4 pt20 -101.66 23.67 10.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.758 0.313 . . . . 0.0 111.343 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 18.8 t60 . . . . . 0 C--N 1.325 -0.478 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.014 179.094 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 23.9 mt -51.28 -43.3 61.57 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 52.5 t -59.46 -36.63 65.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.062 0.458 . . . . 0.0 110.924 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . 0.512 ' HA ' ' HE2' ' A' ' 957' ' ' LYS . 53.2 mm-40 -77.42 -47.45 19.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.318 -177.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 8.7 m -63.06 -37.1 85.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.731 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . 0.607 ' SG ' HG21 ' A' ' 932' ' ' ILE . 42.3 t -56.39 -43.68 79.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.073 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . 0.512 ' HE2' ' HA ' ' A' ' 954' ' ' GLN . 52.9 mtmt -61.9 -41.2 97.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.763 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.8 82.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.448 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 963' ' ' ILE . 83.2 t -63.91 -41.49 92.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.81 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -58.5 -27.46 64.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.175 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 41.5 mm-40 -87.2 -22.16 25.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.834 0.349 . . . . 0.0 111.059 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . 0.681 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 86.0 mm-40 -90.4 -26.72 19.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.61 -176.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 959' ' ' VAL . 82.6 mt -54.31 -54.11 51.72 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.1 Cg_endo -59.76 -30.98 93.33 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.028 1.818 . . . . 0.0 112.262 178.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.42 -36.55 79.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.591 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.63 ' O ' HG21 ' A' ' 970' ' ' VAL . 87.5 mt -61.18 -60.6 3.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.103 0.478 . . . . 0.0 109.997 173.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 43.6 t -58.5 -41.79 82.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.737 -174.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.04 -45.97 91.06 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -62.94 -43.04 99.49 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.04 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.63 HG21 ' O ' ' A' ' 966' ' ' LEU . 61.1 t -56.97 -51.92 62.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.862 0.363 . . . . 0.0 110.605 177.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -60.71 -33.98 73.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.673 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.21 -42.13 99.72 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.877 -0.677 . . . . 0.0 111.898 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 35.8 t -74.15 -39.21 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.788 0.328 . . . . 0.0 110.834 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.2 -25.95 68.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.288 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -95.05 -46.91 6.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.919 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . 0.575 ' HB3' ' HG ' ' A' ' 979' ' ' SER . 29.4 mt-30 -108.45 96.95 20.59 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.904 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -90.79 13.74 2.12 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.764 2.309 . . . . 0.0 114.312 -172.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -143.18 -32.96 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.173 -0.611 . . . . 0.0 112.513 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 979' ' ' SER . . . . . 0.575 ' HG ' ' HB3' ' A' ' 976' ' ' GLN . 10.1 p -66.43 116.68 36.48 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.308 . . . . 0.0 111.211 -178.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.97 -33.76 73.95 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.195 2.596 . . . . 0.0 112.998 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 2.5 p -61.24 -24.63 66.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.769 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -80.11 -52.86 7.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.393 . . . . 0.0 110.666 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . 0.478 ' O ' HG13 ' A' ' 987' ' ' ILE . 22.2 mp0 -65.48 -44.63 86.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.571 -178.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.97 -24.3 67.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.494 0.188 . . . . 0.0 111.266 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -69.24 -45.85 68.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.067 0.461 . . . . 0.0 109.921 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' ' 917' ' ' LEU . 4.1 tt -63.77 -50.64 68.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.771 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 983' ' ' GLN . 71.3 mt -57.83 -44.35 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.245 -177.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.08 85.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.765 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.6 80.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.077 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.566 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.6 m -58.87 -52.08 67.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.878 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . 0.644 ' HA ' HD13 ' A' ' 994' ' ' LEU . 70.8 mt-30 -66.4 -37.33 85.01 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.315 0.578 . . . . 0.0 110.257 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 42.7 t -65.26 -25.58 67.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.826 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.595 ' HZ ' ' HB3' ' A' ' 928' ' ' ALA . 87.3 t80 -87.61 -30.05 20.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.644 HD13 ' HA ' ' A' ' 991' ' ' GLN . 98.1 mt -53.11 -48.65 67.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.625 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.737 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 20.8 tp60 -62.02 -58.65 16.53 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -177.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . 0.737 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 52.4 Cg_exo -57.09 -41.03 79.0 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.123 1.882 . . . . 0.0 112.174 177.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.523 ' O ' HG22 ' A' 1001 ' ' VAL . . . -59.37 -50.41 68.09 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.86 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.65 -35.36 89.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.344 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.23 -39.13 93.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.569 0.223 . . . . 0.0 110.863 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1000 ' ' MET . . . . . 0.425 ' HE1' ' HB ' ' A' ' 931' ' ' THR . 50.2 ttp -76.27 -31.07 58.08 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.126 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 997' ' ' GLY . 99.1 t -60.46 -50.01 82.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.91 0.386 . . . . 0.0 110.007 174.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.71 92.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.977 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.36 90.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.019 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.521 ' O ' HG21 ' A' 1008 ' ' VAL . . . -63.89 -46.66 83.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.739 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.6 mttt -60.68 -33.5 72.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -77.76 -20.62 53.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.066 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1007 ' ' SER . . . . . 0.569 ' O ' HG13 ' A' 1011 ' ' ILE . 36.5 t -92.42 -14.19 28.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.999 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' 1004 ' ' ALA . 73.5 t -56.41 -52.19 75.11 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1009 ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' 1008 ' ' VAL . 48.7 Cg_endo -68.92 -18.0 41.22 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 121.758 1.639 . . . . 0.0 113.395 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 49.0 p -85.27 -14.17 47.47 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.024 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1011 ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' 1007 ' ' SER . 63.1 mt -77.2 125.07 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.943 176.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -74.67 -31.3 61.88 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -75.26 97.35 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.418 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' 1018 ' ' MET . 76.0 mt-30 -60.56 -39.56 88.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.981 -172.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.66 91.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 37.4 m -68.08 -29.17 68.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.537 ' HA ' HD12 ' A' 1011 ' ' ILE . . . -65.98 -45.12 82.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.074 0.464 . . . . 0.0 110.211 175.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1018 ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' 1014 ' ' GLN . 64.3 mtt -64.41 -34.14 77.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.076 176.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.18 -53.66 54.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.452 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.63 -42.72 88.9 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 39.5 t -59.74 -42.23 92.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.519 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.63 -40.09 80.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.939 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 80.2 m -57.76 -52.73 64.26 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.541 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.41 87.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.158 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -60.95 -46.05 92.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.557 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -69.55 -38.31 77.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.656 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1027 ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' 1031 ' ' LEU . 55.9 tp -58.78 -37.95 77.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.118 175.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.48 -40.74 96.59 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.396 176.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 74.7 m -73.37 -35.98 66.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.97 0.414 . . . . 0.0 110.531 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.28 89.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.031 175.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1031 ' ' LEU . . . . . 0.473 HD21 ' HA ' ' A' ' 994' ' ' LEU . 88.6 mt -68.08 -36.55 80.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.561 175.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.32 -61.84 2.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.865 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.19 -30.13 69.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.012 -176.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 52.7 tp -65.09 -47.43 77.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.112 0.482 . . . . 0.0 110.192 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -58.35 -47.94 82.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.458 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 35.9 m -64.42 -44.07 92.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.446 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.0 96.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.902 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1038 ' ' ALA . . . . . 0.535 ' HA ' HD11 ' A' ' 917' ' ' LEU . . . -63.06 -39.49 94.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.826 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -60.94 -47.95 84.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.126 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.76 -46.3 69.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.241 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -65.17 -36.55 84.58 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -174.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1042 ' ' GLN . . . . . 0.432 ' HB2' HG23 ' A' ' 987' ' ' ILE . 63.8 tt0 . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 120.714 0.292 . . . . 0.0 111.104 -176.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 41.8 mt . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.219 0.533 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 6.7 m -81.16 -23.7 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.084 -176.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.12 -32.12 73.43 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.696 0.76 . . . . 0.0 109.777 173.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -66.06 -37.54 86.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.208 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . 0.6 ' HB3' HD23 ' A' ' 986' ' ' LEU . 95.1 mt -64.23 -36.07 82.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.13 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -55.2 -48.55 73.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.129 0.49 . . . . 0.0 110.744 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -75.95 -43.87 42.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.743 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . 0.434 ' HA ' ' HG2' ' A' ' 923' ' ' GLN . . . -63.4 -38.91 92.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.783 -176.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.32 87.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.737 0.304 . . . . 0.0 111.113 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -69.95 -41.71 74.16 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.291 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 920' ' ' ALA . 19.1 pt20 -70.37 -31.05 68.15 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.722 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -71.01 -45.19 64.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.999 0.428 . . . . 0.0 110.035 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . 0.563 ' HB3' HG21 ' A' ' 963' ' ' ILE . . . -59.92 -33.22 71.58 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.735 177.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -74.61 -55.39 5.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.295 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 19.8 p -62.47 -34.99 77.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 111.478 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . 0.572 ' HB2' HG12 ' A' ' 959' ' ' VAL . . . -59.21 -44.62 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.772 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 38.8 m -62.0 -41.32 97.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.543 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -63.03 -42.75 99.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.246 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 27.9 m -65.57 -37.91 88.04 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.9 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.542 ' O ' ' HG2' ' A' ' 936' ' ' GLN . 78.3 mt -61.51 -49.12 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 120.883 0.373 . . . . 0.0 110.279 175.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -57.3 -41.73 80.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.536 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -66.79 -49.76 64.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.863 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.607 ' HA ' HD22 ' A' 1020 ' ' LEU . . . -54.66 -57.31 11.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.367 -175.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 26.4 pt20 -73.64 -11.08 60.3 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -173.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 22.7 m170 . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 120.881 0.372 . . . . 0.0 111.153 179.154 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' A' ' 951' ' ' LEU . 3.1 mm? . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . 0.652 HD23 ' HA ' ' A' 1004 ' ' ALA . 76.5 mt -47.3 -60.82 2.23 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 122.93 0.492 . . . . 0.0 112.319 -178.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 43.3 t -51.74 -42.93 32.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 111.486 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -71.61 -39.23 70.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.653 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 15.7 m -70.42 -39.89 74.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.766 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . 0.417 ' HB3' HG23 ' A' ' 932' ' ' ILE . 99.5 m -61.84 -35.7 79.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.189 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 961' ' ' GLU . 98.8 mttt -66.96 -40.89 87.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 0.0 110.52 176.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.83 -48.25 66.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.864 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.572 HG12 ' HB2' ' A' ' 928' ' ' ALA . 89.8 t -60.97 -38.8 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.817 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -62.84 -20.96 65.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.754 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 42.1 mt-10 -83.94 -26.99 28.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.077 0.465 . . . . 0.0 110.338 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . 0.657 ' HG3' ' HG3' ' A' ' 996' ' ' PRO . 11.2 mm100 -91.99 -26.92 18.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.563 -172.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.681 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 86.6 mt -54.59 -53.44 60.11 Favored Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.743 177.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . 0.681 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 36.9 Cg_exo -59.09 -35.69 97.6 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.096 1.864 . . . . 0.0 111.895 176.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 73.6 mt -64.29 -40.3 95.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.717 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.655 ' O ' HG21 ' A' ' 970' ' ' VAL . 55.0 mt -56.79 -61.75 2.22 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.186 174.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 57.7 t -60.68 -36.63 71.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.304 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -62.03 -43.84 97.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.9 -43.46 96.0 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.987 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.655 HG21 ' O ' ' A' ' 966' ' ' LEU . 43.8 t -57.2 -55.7 19.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.746 0.307 . . . . 0.0 110.25 177.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -60.15 -37.97 81.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.448 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.7 -39.98 98.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.814 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 15.3 m -77.0 -16.41 59.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.815 0.34 . . . . 0.0 110.876 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.566 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 25.9 mt-30 -84.38 -44.08 14.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.004 0.431 . . . . 0.0 110.302 175.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -66.09 -33.36 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.977 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -97.01 104.65 19.62 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 174.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.0 -61.14 0.63 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.046 2.497 . . . . 0.0 112.869 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -138.11 81.07 1.84 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.132 0.492 . . . . 0.0 109.675 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 29.8 t -120.18 122.71 28.7 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.471 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . 0.533 ' HA ' ' HG2' ' A' ' 983' ' ' GLN . 23.0 Cg_endo -62.76 -30.68 78.3 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.453 2.102 . . . . 0.0 111.295 177.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 47.6 t -68.12 -40.56 82.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.206 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -70.08 -50.53 39.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . 0.533 ' HG2' ' HA ' ' A' ' 980' ' ' PRO . 20.4 pt20 -60.28 -38.54 83.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.219 -176.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . 0.411 HD13 HD11 ' A' ' 987' ' ' ILE . 3.2 mm? -66.26 -33.26 75.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.94 177.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -68.11 -34.66 76.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.138 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . 0.6 HD23 ' HB3' ' A' ' 917' ' ' LEU . 0.6 OUTLIER -64.91 -47.56 77.34 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.753 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 983' ' ' GLN . 67.5 mt -56.56 -47.55 81.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.295 177.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -56.04 -49.82 72.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.263 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.87 97.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.008 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.503 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 30.6 m -58.91 -50.63 73.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.13 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . 0.644 ' HA ' HD11 ' A' ' 994' ' ' LEU . 97.7 mt-30 -65.11 -39.32 92.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.104 0.478 . . . . 0.0 110.969 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 55.0 m -69.49 -20.76 63.73 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.513 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.48 ' CG ' HD12 ' A' ' 966' ' ' LEU . 85.7 t80 -83.49 -28.58 28.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.943 0.402 . . . . 0.0 110.326 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.644 HD11 ' HA ' ' A' ' 991' ' ' GLN . 71.0 mt -60.82 -37.65 82.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.127 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.569 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 52.0 tp60 -56.28 -62.38 4.92 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.003 -178.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . 0.657 ' HG3' ' HG3' ' A' ' 962' ' ' GLN . 73.8 Cg_endo -76.39 -30.93 4.86 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.508 1.472 . . . . 0.0 112.492 179.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.451 ' O ' HG21 ' A' 1001 ' ' VAL . . . -64.64 -51.33 52.81 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.084 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -67.41 -20.88 71.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.996 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -77.25 -35.67 55.19 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 53.9 ttp -74.47 -27.42 60.58 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.154 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 997' ' ' GLY . 77.0 t -60.07 -48.28 88.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.99 174.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -67.51 -42.21 83.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.48 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -57.19 -41.83 80.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.07 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.652 ' HA ' HD23 ' A' ' 952' ' ' LEU . . . -64.99 -49.22 71.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.78 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 68.8 mttm -59.53 -36.88 77.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.208 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -77.51 -19.3 56.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.468 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1007 ' ' SER . . . . . 0.506 ' O ' HG13 ' A' 1011 ' ' ILE . 68.2 m -92.92 -15.48 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.481 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.549 HG11 ' HB1' ' A' 1017 ' ' ALA . 80.9 t -54.91 -51.69 77.13 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1009 ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' 1008 ' ' VAL . 41.1 Cg_endo -68.53 -17.23 43.46 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.991 1.794 . . . . 0.0 113.344 -178.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 46.9 p -88.4 -3.67 58.79 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.191 0.52 . . . . 0.0 111.09 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1011 ' ' ILE . . . . . 0.542 HD11 HD13 ' A' 1020 ' ' LEU . 66.9 mt -95.83 132.58 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.585 176.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1012 ' ' GLN . . . . . 0.857 ' HA ' HE21 ' A' 1012 ' ' GLN . 0.0 OUTLIER -84.7 -37.02 21.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.838 0.352 . . . . 0.0 110.269 -179.078 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -69.91 110.64 5.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.928 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -57.42 -38.58 74.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.357 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.99 98.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 0.0 110.761 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1016 ' ' SER . . . . . 0.482 ' HB2' HG21 ' A' 1011 ' ' ILE . 19.9 m -67.14 -39.77 86.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.053 0.454 . . . . 0.0 110.198 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.549 ' HB1' HG11 ' A' 1008 ' ' VAL . . . -63.6 -42.84 98.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.586 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 87.2 mtp -68.61 -30.23 68.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.071 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -65.34 -46.67 79.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1020 ' ' LEU . . . . . 0.607 HD22 ' HA ' ' A' ' 935' ' ' ALA . 11.5 mt -62.96 -44.62 95.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.684 175.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 34.5 t -58.52 -36.46 73.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.864 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -74.25 -49.86 21.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1023 ' ' CYS . . . . . 0.802 ' HA ' ' ND2' ' A' 1026 ' ' ASN . 83.9 m -66.42 -42.79 87.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.758 -175.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.63 72.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.103 0.477 . . . . 0.0 110.658 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -72.01 -40.61 68.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.099 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1026 ' ' ASN . . . . . 0.802 ' ND2' ' HA ' ' A' 1023 ' ' CYS . 7.6 p30 -81.07 -33.83 33.14 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.593 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 67.4 tp -64.56 -41.79 96.09 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 175.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.51 -40.01 93.88 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.989 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 16.2 m -75.2 -32.82 61.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.98 0.419 . . . . 0.0 110.605 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -63.66 -45.05 91.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.247 0.546 . . . . 0.0 110.011 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.97 -30.13 67.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.673 177.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.54 -59.67 4.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.287 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.29 -35.47 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.077 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.95 -48.08 83.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.06 0.457 . . . . 0.0 110.432 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -63.27 -46.02 88.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.674 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 93.5 m -61.54 -44.43 97.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.996 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.85 82.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.976 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.79 92.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.207 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -64.79 -44.69 89.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.195 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.33 -45.12 85.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.602 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -62.42 -33.6 75.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.914 -177.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1042 ' ' GLN . . . . . 0.437 ' NE2' HE22 ' A' ' 991' ' ' GLN . 8.2 tt0 . . . . . 0 C--N 1.326 -0.455 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.057 -177.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 33.9 mt . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.98 0.419 . . . . 0.0 109.882 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 27.2 m -69.99 -25.58 28.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.763 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -44.48 85.01 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 173.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . 0.786 ' HA ' ' CD2' ' A' ' 919' ' ' HIS . 15.0 mtp180 -67.86 -39.83 83.71 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.384 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . 0.566 ' HB3' HD22 ' A' ' 986' ' ' LEU . 75.6 mt -54.09 -43.68 70.56 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.406 0.442 . . . . 0.0 110.288 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 47.9 mt-10 -55.15 -58.34 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.813 176.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . 0.786 ' CD2' ' HA ' ' A' ' 916' ' ' ARG . 10.6 p80 -72.23 -24.52 61.39 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -173.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -80.11 -45.87 17.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.346 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.39 -36.22 82.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.493 0.187 . . . . 0.0 111.261 -178.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -60.75 -51.9 67.37 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.971 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -69.25 -33.28 73.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.686 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -63.15 -48.04 80.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . 0.554 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.78 -41.23 90.65 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.78 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 930' ' ' GLN . . . -65.14 -52.63 54.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.068 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 13.9 t -62.92 -37.49 87.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.687 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . 0.551 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -60.12 -44.78 94.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.614 177.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 57.6 m -57.15 -40.86 78.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.539 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 926' ' ' ALA . 17.7 mt-30 -68.87 -42.84 76.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.457 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 931' ' ' THR . . . . . 0.436 ' HB ' ' HE1' ' A' 1000 ' ' MET . 23.5 m -65.21 -39.32 92.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.464 -177.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.486 HG23 ' HB2' ' A' ' 956' ' ' CYS . 83.5 mt -61.01 -50.97 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.921 0.391 . . . . 0.0 110.681 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.98 87.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.351 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . 0.523 ' HB3' ' HG3' ' A' 1019 ' ' GLN . . . -63.38 -48.89 76.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.907 177.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.658 ' HA ' HD22 ' A' 1020 ' ' LEU . . . -59.1 -49.72 76.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.441 -177.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -67.26 -28.21 67.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.505 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.707 0.289 . . . . 0.0 111.139 -179.565 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . 0.43 HD23 ' HB3' ' A' ' 935' ' ' ALA . 30.6 mt -58.19 -58.38 8.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . 0.591 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 42.1 t -65.43 -26.87 40.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.938 0.399 . . . . 0.0 111.399 -174.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . 0.517 ' HA ' ' OE1' ' A' ' 954' ' ' GLN . 6.0 tp60 -79.58 -37.73 35.66 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.856 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 955' ' ' SER . . . . . 0.484 ' HB2' ' HB2' ' A' 1000 ' ' MET . 30.3 p -78.17 -39.85 39.57 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.054 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 21.2 p -60.71 -41.62 95.62 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.237 -176.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -67.64 -36.46 80.8 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.705 0.288 . . . . 0.0 110.536 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -70.58 -51.95 24.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.582 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 963' ' ' ILE . 97.0 t -57.53 -40.24 73.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.883 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.17 66.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.827 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -83.64 -22.41 32.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.729 0.299 . . . . 0.0 111.191 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 958' ' ' ALA . 16.5 mm100 -83.47 -23.65 32.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.238 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.695 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 93.1 mt -56.32 -54.82 48.84 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . 0.695 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 41.1 Cg_exo -58.28 -32.52 96.14 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.01 1.807 . . . . 0.0 112.24 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.16 -37.58 81.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.802 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.578 ' O ' HG21 ' A' ' 970' ' ' VAL . 78.8 mt -60.72 -56.23 23.79 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.283 174.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 52.2 t -61.82 -39.66 84.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.329 -175.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . 0.869 HE21 ' HA ' ' A' ' 968' ' ' GLN . 0.0 OUTLIER -64.49 -34.91 79.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.009 0.433 . . . . 0.0 110.047 175.75 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -67.47 -46.5 69.34 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.631 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.578 HG21 ' O ' ' A' ' 966' ' ' LEU . 42.3 t -58.38 -52.24 61.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.883 0.373 . . . . 0.0 110.359 177.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.45 -25.57 68.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.303 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -67.23 -44.13 87.13 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.721 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 20.5 t -72.77 -32.94 65.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.055 0.455 . . . . 0.0 110.172 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -68.16 -27.6 66.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -76.5 -41.08 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 110.634 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -133.79 95.55 17.32 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.05 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -69.19 -14.17 37.4 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.785 2.323 . . . . 0.0 112.149 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -120.59 74.77 1.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.442 0.639 . . . . 0.0 109.382 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 979' ' ' SER . . . . . 0.45 ' O ' ' HG2' ' A' ' 983' ' ' GLN . 33.5 t -159.33 108.56 1.52 Allowed Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.35 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.89 -35.71 98.62 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.568 2.178 . . . . 0.0 111.236 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 25.4 t -63.35 -44.55 94.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.368 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.31 94.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.83 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . 0.48 ' O ' HG13 ' A' ' 987' ' ' ILE . 40.0 mm-40 -65.95 -49.91 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.005 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.39 -24.98 65.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.702 -177.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -68.96 -45.9 69.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.838 0.351 . . . . 0.0 110.154 175.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 917' ' ' LEU . 2.4 tt -69.33 -46.94 65.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.783 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 983' ' ' GLN . 78.1 mt -56.49 -45.88 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.907 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -67.87 -42.05 81.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.98 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.78 85.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.822 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.578 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 36.2 m -60.22 -51.23 70.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.677 178.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . 0.629 ' HA ' HD13 ' A' ' 994' ' ' LEU . 68.7 mt-30 -64.9 -36.09 83.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.726 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 48.9 m -70.31 -18.5 63.1 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.3 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.551 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 88.4 t80 -93.42 -32.13 14.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.672 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' ' 991' ' ' GLN . 81.8 mt -56.62 -43.89 80.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.497 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.58 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 54.5 tp60 -60.32 -60.75 9.61 Favored Pre-proline 0 CA--C 1.543 0.679 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.995 -175.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 59.4 Cg_endo -73.07 -30.08 11.14 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.624 1.549 . . . . 0.0 112.285 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.447 ' O ' HG21 ' A' 1001 ' ' VAL . . . -64.65 -45.27 93.38 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.697 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.43 -34.81 86.87 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.829 177.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 98.1 mttt -63.1 -41.44 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.598 0.237 . . . . 0.0 110.732 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1000 ' ' MET . . . . . 0.484 ' HB2' ' HB2' ' A' ' 955' ' ' SER . 44.9 ttp -72.3 -33.48 67.42 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -177.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 997' ' ' GLY . 99.0 t -59.19 -49.62 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.999 0.428 . . . . 0.0 110.036 174.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.41 94.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.962 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.56 80.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.232 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.405 ' HB3' HD23 ' A' 1020 ' ' LEU . . . -61.22 -49.29 77.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.401 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.76 -28.99 69.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.941 0.401 . . . . 0.0 111.347 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -80.45 -15.11 57.56 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1007 ' ' SER . . . . . 0.506 ' O ' HG13 ' A' 1011 ' ' ILE . 18.9 m -91.67 -21.15 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.67 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.445 ' N ' ' HD2' ' A' 1009 ' ' PRO . 48.6 t -54.56 -49.26 92.08 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1009 ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' 1008 ' ' VAL . 56.0 Cg_endo -70.88 -15.45 32.89 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.896 1.731 . . . . 0.0 113.228 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 36.8 p -94.77 7.75 44.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.955 0.407 . . . . 0.0 111.14 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1011 ' ' ILE . . . . . 0.632 HG21 ' HB2' ' A' 1016 ' ' SER . 66.3 mt -111.09 128.33 67.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.828 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -85.99 -19.66 30.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.953 0.406 . . . . 0.0 110.524 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.27 118.21 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.239 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.55 -36.66 84.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.481 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.37 87.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.888 0.375 . . . . 0.0 111.184 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1016 ' ' SER . . . . . 0.632 ' HB2' HG21 ' A' 1011 ' ' ILE . 29.0 m -68.65 -40.81 80.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.431 176.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -62.55 -47.96 81.56 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.156 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 25.2 ptt? -66.05 -32.32 73.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.567 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1019 ' ' GLN . . . . . 0.523 ' HG3' ' HB3' ' A' ' 934' ' ' ALA . 8.5 tp-100 -63.2 -46.66 85.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.447 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1020 ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 935' ' ' ALA . 25.0 mt -68.11 -46.68 70.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.358 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 7.8 t -60.97 -35.49 76.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.845 0.355 . . . . 0.0 110.713 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -67.38 -60.02 2.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.806 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 58.5 m -62.73 -48.56 78.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.895 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.3 -32.31 73.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.208 -176.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1025 ' ' LYS . . . . . 0.732 ' HB3' ' HZ1' ' A' 1025 ' ' LYS . 6.9 ttpm? -73.76 -39.31 64.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.993 0.425 . . . . 0.0 110.057 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -66.43 -44.53 82.62 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.641 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1027 ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' 1031 ' ' LEU . 51.2 tp -60.04 -41.43 92.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.132 176.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -62.08 -44.11 98.21 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.455 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 18.3 m -70.36 -31.75 69.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.126 0.488 . . . . 0.0 110.624 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -64.88 -48.21 75.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.104 175.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1031 ' ' LEU . . . . . 0.572 HD21 HD22 ' A' ' 994' ' ' LEU . 97.3 mt -64.27 -33.37 75.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.619 177.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.48 -55.55 27.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.447 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.43 -28.95 46.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.892 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 58.2 tp -63.63 -47.75 80.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.905 0.384 . . . . 0.0 110.27 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -60.63 -47.46 86.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.722 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 23.0 m -63.01 -40.72 98.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.828 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -69.39 -47.15 65.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.175 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -63.13 -33.75 76.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.072 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.41 -49.37 69.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.098 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.13 -40.62 90.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.116 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.93 83.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.066 0.46 . . . . 0.0 110.876 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.783 178.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 916' ' ' ARG . 37.5 mt . . . . . 0 N--CA 1.457 -0.102 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . 0.48 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 12.3 m -72.22 -15.32 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.756 0.313 . . . . 0.0 111.426 -175.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -66.25 -43.73 85.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.941 0.401 . . . . 0.0 110.5 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 913' ' ' LEU . 10.2 ptp180 -75.12 -20.99 59.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.906 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 62.4 tp -68.19 -46.65 70.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.011 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 47.1 mt-10 -56.25 -50.29 71.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.169 0.509 . . . . 0.0 110.043 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -59.09 -45.34 91.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.13 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -67.28 -41.88 84.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.459 -177.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.29 92.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.549 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 99.6 mttt -59.47 -52.03 67.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.789 0.328 . . . . 0.0 110.808 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -71.87 -27.96 63.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.343 -177.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . 0.525 ' HA ' ' HB2' ' A' 1030 ' ' ALA . . . -68.73 -48.39 63.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.843 0.354 . . . . 0.0 110.159 176.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . 0.59 ' HB3' HG23 ' A' ' 963' ' ' ILE . . . -59.63 -35.46 74.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.358 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -69.55 -58.5 3.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.353 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 18.9 p -59.49 -34.37 72.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.698 0.285 . . . . 0.0 111.228 -176.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . 0.558 ' HB1' ' HZ ' ' A' ' 993' ' ' PHE . . . -59.5 -40.89 88.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 175.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 46.0 m -59.82 -49.37 77.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.492 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -60.94 -41.02 95.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.359 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 24.9 m -63.99 -42.68 97.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 0.0 110.408 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.58 ' O ' ' HG2' ' A' ' 936' ' ' GLN . 79.6 mt -60.75 -51.15 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.754 176.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.29 -26.0 66.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.469 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -83.42 -50.54 8.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.59 ' HA ' HD22 ' A' 1020 ' ' LEU . . . -63.65 -57.6 9.54 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -172.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 13.1 pt20 -74.02 -10.51 59.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -173.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.002 0.43 . . . . 0.0 110.025 178.511 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 N--CA 1.462 0.167 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . 0.494 HD22 ' HB1' ' A' ' 935' ' ' ALA . 58.2 mt -58.45 -57.41 13.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.922 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 79.7 t -55.89 -43.41 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.504 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -63.62 -49.65 72.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.989 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 955' ' ' SER . . . . . 0.4 ' O ' HG21 ' A' ' 959' ' ' VAL . 20.3 m -65.74 -39.89 91.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.039 -178.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 935' ' ' ALA . 73.2 m -58.15 -47.53 83.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.808 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . 0.548 ' HZ3' ' HB2' ' A' ' 957' ' ' LYS . 10.0 mtmp? -67.09 -30.42 70.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.759 0.314 . . . . 0.0 110.395 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -70.24 -48.18 58.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.617 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 963' ' ' ILE . 92.5 t -61.67 -37.22 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.653 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.98 -22.91 64.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.694 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -83.32 -24.11 32.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.836 0.351 . . . . 0.0 111.124 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . 0.437 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 15.9 mm100 -88.4 -23.77 23.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.151 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 925' ' ' ALA . 76.6 mt -55.72 -54.82 47.53 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.3 Cg_endo -59.25 -33.16 97.93 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.011 1.807 . . . . 0.0 112.0 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.93 -39.13 90.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.514 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.643 ' O ' HG21 ' A' ' 970' ' ' VAL . 82.0 mt -60.17 -59.95 4.6 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.021 175.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 40.6 t -61.1 -40.1 84.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.569 -174.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -60.6 -40.38 91.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.146 0.498 . . . . 0.0 109.718 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.94 -43.46 91.28 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.742 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.643 HG21 ' O ' ' A' ' 966' ' ' LEU . 25.0 t -59.77 -46.28 93.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.91 0.385 . . . . 0.0 110.537 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -67.44 -26.19 66.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.621 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -68.42 -38.12 86.58 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 173.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 42.4 t -68.59 -32.72 72.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 109.883 174.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 76.6 mt-30 -65.39 -32.63 74.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.37 175.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -73.42 -59.31 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.576 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -139.96 95.36 8.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.473 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.87 -17.37 29.0 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 122.552 2.168 . . . . 0.0 112.581 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -92.76 0.65 57.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.963 0.411 . . . . 0.0 110.399 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 29.6 t -92.67 119.24 68.04 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.437 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -61.42 -33.34 88.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.252 . . . . 0.0 111.848 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 32.8 m -62.1 -34.39 76.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -79.68 -42.59 24.41 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.614 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -65.76 -47.18 76.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.478 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 63.8 mt -60.65 -33.48 72.88 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.629 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.65 96.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.907 0.385 . . . . 0.0 110.482 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.97 -51.1 43.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.81 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . 0.512 HD11 ' HA ' ' A' 1042 ' ' GLN . 88.3 mt -58.06 -52.44 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.465 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.03 96.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.049 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -62.68 -36.32 82.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.971 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.523 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 31.5 m -69.22 -44.37 72.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.997 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . 0.5 ' HA ' HD13 ' A' ' 994' ' ' LEU . 97.5 mt-30 -64.58 -40.04 94.83 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.258 0.551 . . . . 0.0 110.398 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 11.1 t -73.1 -14.27 61.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.343 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.558 ' HZ ' ' HB1' ' A' ' 928' ' ' ALA . 83.1 t80 -88.41 -33.8 17.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.141 177.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 990' ' ' SER . 88.1 mt -56.12 -46.2 79.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.618 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.438 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.2 tp-100 -57.17 -60.18 10.44 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -176.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . 0.699 ' HA ' ' HG2' ' A' ' 999' ' ' LYS . 55.8 Cg_endo -71.99 -29.5 14.9 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.348 1.365 . . . . 0.0 112.351 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.492 ' O ' HG22 ' A' 1001 ' ' VAL . . . -63.25 -51.18 56.91 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.581 177.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -63.69 -36.69 93.66 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.683 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . 0.699 ' HG2' ' HA ' ' A' ' 996' ' ' PRO . 4.2 ptpp? -72.84 -21.12 61.0 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.801 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 56.2 ttp -83.02 -32.7 26.77 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 997' ' ' GLY . 96.3 t -59.32 -51.04 77.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.01 174.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.83 96.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.114 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -59.52 -44.03 93.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.56 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' 1008 ' ' VAL . . . -61.33 -47.51 85.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.931 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 97.5 mttt -57.76 -36.78 72.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.699 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -79.76 -23.06 42.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.501 -176.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1007 ' ' SER . . . . . 0.499 ' O ' HG13 ' A' 1011 ' ' ILE . 69.7 m -85.05 -21.81 29.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.257 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' 1004 ' ' ALA . 78.5 t -51.84 -57.4 14.93 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1009 ' ' PRO . . . . . 0.487 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 59.3 Cg_endo -72.1 -13.17 28.57 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 121.963 1.775 . . . . 0.0 113.434 -176.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 22.8 p -91.88 -14.89 28.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.328 . . . . 0.0 111.598 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1011 ' ' ILE . . . . . 0.584 HG22 ' HB2' ' A' 1016 ' ' SER . 75.7 mt -84.42 141.24 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.306 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1012 ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' 1012 ' ' GLN . 1.0 OUTLIER -84.42 -41.85 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -65.54 113.73 4.39 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.295 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.488 ' NE2' ' H ' ' A' 1014 ' ' GLN . 0.7 OUTLIER -65.86 -31.32 72.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.992 -175.286 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -67.82 -37.34 81.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.528 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1016 ' ' SER . . . . . 0.584 ' HB2' HG22 ' A' 1011 ' ' ILE . 7.2 m -65.38 -43.66 90.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.894 177.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.479 ' HB3' HG11 ' A' 1008 ' ' VAL . . . -64.28 -46.51 83.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.182 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1018 ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' 1014 ' ' GLN . 67.2 mtt -60.72 -47.87 84.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -61.73 -44.32 97.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.813 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1020 ' ' LEU . . . . . 0.59 HD22 ' HA ' ' A' ' 935' ' ' ALA . 12.8 mt -59.99 -52.48 65.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.758 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 26.0 t -59.02 -38.19 78.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.876 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -70.67 -48.67 53.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.018 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 77.2 m -63.4 -44.99 93.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.213 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.14 -31.71 72.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.15 0.5 . . . . 0.0 110.86 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -66.46 -48.05 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.126 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -68.72 -39.05 80.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.941 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1027 ' ' LEU . . . . . 0.469 ' O ' ' HG ' ' A' 1031 ' ' LEU . 63.3 tp -64.11 -37.91 89.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.057 176.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -60.26 -46.88 93.46 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.277 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 5.6 m -68.86 -33.62 74.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.982 0.42 . . . . 0.0 110.568 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1030 ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 924' ' ' ALA . . . -61.53 -43.54 98.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.076 176.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1031 ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' 1027 ' ' LEU . 91.0 mt -67.94 -36.45 80.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.413 175.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.5 88.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.449 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.93 -55.46 19.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.217 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1034 ' ' LEU . . . . . 0.439 HD22 ' HB3' ' A' ' 990' ' ' SER . 6.8 mt -50.8 -56.46 12.02 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.674 0.609 . . . . 0.0 112.119 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1035 ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' 1035 ' ' ARG . 42.7 ttp180 -52.62 -48.33 66.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.625 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1036 ' ' THR . . . . . 0.428 HG22 ' HE2' ' A' 1040 ' ' LYS . 27.6 m -71.26 -43.23 67.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.009 0.433 . . . . 0.0 111.168 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.93 61.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.192 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -65.78 -33.74 76.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.045 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -62.09 -53.44 55.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.729 0.3 . . . . 0.0 110.518 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1040 ' ' LYS . . . . . 0.428 ' HE2' HG22 ' A' 1036 ' ' THR . 58.2 mtmt -69.55 -34.46 74.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.217 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -71.64 -31.14 66.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 111.189 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1042 ' ' GLN . . . . . 0.512 ' HA ' HD11 ' A' ' 987' ' ' ILE . 24.2 tm0? . . . . . 0 C--N 1.327 -0.389 0 CA-C-O 121.107 0.48 . . . . 0.0 110.154 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' 1041 ' ' ALA . 88.9 mt . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.859 0.361 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 27.4 m -77.95 -25.05 14.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.664 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.48 -43.37 97.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 0.0 110.683 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . 0.415 ' HG3' ' HB1' ' A' 1037 ' ' ALA . 16.1 ptm180 -72.71 -24.66 61.03 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.158 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.92 -52.8 25.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.807 175.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -50.16 -54.98 17.04 Favored 'General case' 0 N--CA 1.462 0.151 0 O-C-N 123.361 0.413 . . . . 0.0 111.47 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -66.15 -32.63 74.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.98 -175.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -75.62 -43.64 46.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.911 0.386 . . . . 0.0 110.743 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.62 88.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.31 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -55.45 -53.88 50.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.083 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -67.97 -31.36 71.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.622 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.23 -50.33 66.24 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 176.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . 0.678 ' HB2' HD11 ' A' ' 966' ' ' LEU . . . -61.15 -41.6 97.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.748 178.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.58 -48.69 71.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.168 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 18.7 t -65.78 -34.53 78.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.333 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.31 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 174.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 49.0 m -59.3 -43.67 92.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.26 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -61.06 -45.82 93.18 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.577 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 931' ' ' THR . . . . . 0.596 ' HB ' ' HE2' ' A' 1000 ' ' MET . 23.7 m -64.03 -39.24 93.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.798 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.621 HG23 ' SG ' ' A' ' 956' ' ' CYS . 52.6 mt -59.76 -48.56 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.805 0.336 . . . . 0.0 110.575 176.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . 0.404 ' O ' ' HD2' ' A' ' 937' ' ' HIS . . . -60.07 -48.54 81.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.518 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.09 98.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.84 75.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.358 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -70.07 -25.11 63.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.473 -176.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . 0.404 ' HD2' ' O ' ' A' ' 933' ' ' ALA . 64.8 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.732 0.301 . . . . 0.0 111.393 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.448 ' HG ' ' HB2' ' A' 1003 ' ' ALA . 14.8 tp . . . . . 0 N--CA 1.468 0.44 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 28.8 mt -41.4 -45.42 3.1 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 44.6 t -58.32 -39.29 73.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.021 0.438 . . . . 0.0 111.366 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -77.45 -46.32 22.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.012 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 955' ' ' SER . . . . . 0.447 ' O ' HG22 ' A' ' 959' ' ' VAL . 11.9 m -61.08 -41.19 96.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.667 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . 0.621 ' SG ' HG23 ' A' ' 932' ' ' ILE . 36.3 t -55.56 -44.49 76.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.948 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.79 -44.19 86.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.636 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -62.46 -47.24 84.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.037 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.535 ' O ' HG13 ' A' ' 963' ' ' ILE . 89.6 t -64.03 -42.34 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -57.96 -28.29 64.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.45 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -82.0 -27.6 33.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . 0.88 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 84.2 mm-40 -88.36 -33.38 17.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.042 -175.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 959' ' ' VAL . 78.5 mt -48.11 -54.59 23.53 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 11.6 Cg_endo -56.02 -46.17 33.1 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.146 1.897 . . . . 0.0 112.344 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.92 -35.66 80.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.145 0.498 . . . . 0.0 110.344 -177.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.678 HD11 ' HB2' ' A' ' 925' ' ' ALA . 2.1 tm? -67.47 -47.19 70.82 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.909 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 71.7 t -68.41 -39.63 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.101 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . 0.411 ' OE1' ' HA ' ' A' ' 968' ' ' GLN . 15.9 mm-40 -64.92 -27.29 68.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 110.183 175.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.5 -44.9 89.05 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 173.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.478 ' O ' ' HG3' ' A' ' 974' ' ' GLN . 38.6 t -59.49 -52.15 64.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.017 0.437 . . . . 0.0 110.327 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 971' ' ' ARG . 36.5 mtp85 -68.52 -24.09 64.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.191 -177.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.64 -40.67 98.86 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.511 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 34.6 t -69.67 -25.49 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.295 0.569 . . . . 0.0 110.218 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 80.2 mt-30 -81.06 -34.54 32.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.462 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -77.03 -34.18 57.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.631 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -122.4 89.77 49.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.402 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.24 -60.87 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.611 2.874 . . . . 0.0 113.683 -172.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -120.5 71.91 0.94 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.604 0.716 . . . . 0.0 110.716 -175.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 51.0 m -130.17 120.63 19.24 Favored Pre-proline 0 N--CA 1.443 -0.788 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.89 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -49.71 -41.54 45.71 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.295 2.663 . . . . 0.0 112.303 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 10.7 p -59.08 -50.91 72.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.983 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.24 86.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.183 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 987' ' ' ILE . 1.9 mp0 -58.04 -51.14 70.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.961 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 987' ' ' ILE . 37.6 tp -66.66 -29.29 69.27 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.058 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.63 97.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.38 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.87 -45.32 78.44 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . 0.593 HG22 ' HB2' ' A' 1042 ' ' GLN . 81.5 mt -57.37 -49.89 78.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.816 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.59 98.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.07 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' A' ' 966' ' ' LEU . . . -61.7 -41.23 97.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.861 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.66 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.2 m -58.63 -49.16 78.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.666 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . 0.719 ' HA ' HD12 ' A' ' 994' ' ' LEU . 65.6 mt-30 -68.55 -35.01 76.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.613 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 24.2 t -66.59 -22.87 66.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.532 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.495 ' CG ' ' HG ' ' A' ' 966' ' ' LEU . 45.9 t80 -88.4 -29.2 20.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.577 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 991' ' ' GLN . 69.0 mt -63.64 -41.96 98.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.622 -178.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.793 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.5 tp60 -57.26 -60.96 8.08 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.852 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . 0.88 ' HG2' ' HG3' ' A' ' 962' ' ' GLN . 12.0 Cg_exo -70.45 -38.69 5.97 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 121.938 1.759 . . . . 0.0 111.878 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.516 ' O ' HG22 ' A' 1001 ' ' VAL . . . -60.42 -50.62 65.59 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.242 -178.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.66 -35.49 91.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.097 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -69.73 -32.69 71.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.475 0.179 . . . . 0.0 111.114 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1000 ' ' MET . . . . . 0.596 ' HE2' ' HB ' ' A' ' 931' ' ' THR . 47.1 ttp -74.2 -31.32 62.6 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 997' ' ' GLY . 71.2 t -62.03 -50.64 79.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 172.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -58.52 -42.37 87.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.86 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1003 ' ' ALA . . . . . 0.448 ' HB2' ' HG ' ' A' ' 951' ' ' LEU . . . -63.09 -48.29 79.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.152 178.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.602 ' O ' HG21 ' A' 1008 ' ' VAL . . . -58.63 -51.13 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.061 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.62 -29.35 70.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.599 -178.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -80.62 -24.72 38.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.992 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1007 ' ' SER . . . . . 0.582 ' O ' HG13 ' A' 1011 ' ' ILE . 32.6 t -85.12 -23.95 28.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.566 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.602 HG21 ' O ' ' A' 1004 ' ' ALA . 69.2 t -51.51 -53.74 46.74 Favored Pre-proline 0 CA--C 1.541 0.606 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.99 -14.66 29.31 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 121.762 1.641 . . . . 0.0 113.06 -177.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 25.4 p -95.42 -1.0 51.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.949 0.404 . . . . 0.0 111.38 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1011 ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' 1007 ' ' SER . 83.5 mt -90.61 135.88 25.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -76.54 -35.63 58.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.039 0.447 . . . . 0.0 110.554 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -83.9 108.79 17.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.354 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.1 -26.29 63.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.77 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1015 ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' 1018 ' ' MET . . . -67.34 -38.54 85.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.251 0.548 . . . . 0.0 109.892 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 41.3 m -72.69 -34.36 67.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.361 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.531 ' HB1' HG11 ' A' 1008 ' ' VAL . . . -63.95 -44.47 92.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.029 177.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1018 ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' 1015 ' ' ALA . 26.6 ptm -68.85 -25.45 64.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.342 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -65.79 -46.46 78.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.105 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.69 -42.5 95.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.862 175.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 26.0 t -60.85 -43.27 98.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.88 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -60.23 -48.17 82.86 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.794 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 61.7 m -64.23 -47.58 79.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.014 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.26 83.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.421 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.83 -45.93 90.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.489 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -67.07 -52.6 40.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.793 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.12 -47.39 78.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.33 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.84 -40.04 96.21 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.766 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 22.0 m -75.79 -35.8 59.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.983 0.42 . . . . 0.0 110.559 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.7 -48.1 82.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.29 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1031 ' ' LEU . . . . . 0.474 HD22 HD21 ' A' ' 994' ' ' LEU . 94.6 mt -66.09 -32.06 73.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.575 177.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.44 74.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.127 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.35 -22.15 30.66 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.324 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 57.7 tp -66.63 -46.18 76.64 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 174.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -61.49 -40.15 93.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.296 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 47.2 m -63.8 -47.51 80.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.693 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1037 ' ' ALA . . . . . 0.415 ' HB1' ' HG3' ' A' ' 916' ' ' ARG . . . -65.1 -46.25 81.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.678 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.42 82.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.009 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -62.79 -52.62 62.48 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 67.9 mttm -56.49 -46.35 80.53 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.5 0.5 . . . . 0.0 111.661 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1041 ' ' ALA . . . . . 0.552 ' HA ' HD12 ' A' ' 913' ' ' LEU . . . -66.31 -25.95 67.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.438 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1042 ' ' GLN . . . . . 0.593 ' HB2' HG22 ' A' ' 987' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.574 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.688 0.28 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 10.9 m -85.64 -35.4 9.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -57.17 -34.01 68.04 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.246 0.546 . . . . 0.0 110.612 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -65.78 -36.17 82.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.621 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.89 -53.94 13.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.411 ' OE1' HD13 ' A' ' 986' ' ' LEU . 0.3 OUTLIER -49.09 -42.56 39.37 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.489 0.493 . . . . 0.0 111.46 176.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -75.07 -40.33 60.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.577 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.72 81.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.671 0.272 . . . . 0.0 111.053 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.08 95.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.956 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -57.72 -54.13 50.34 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.167 0.508 . . . . 0.0 110.615 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -69.93 -34.67 73.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.132 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.08 92.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.852 0.358 . . . . 0.0 110.306 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.19 89.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.425 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.04 -52.75 54.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.114 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 56.6 m -61.5 -36.43 80.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.408 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . 0.429 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -62.35 -43.38 98.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.769 0.319 . . . . 0.0 110.25 175.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 36.3 m -60.83 -41.48 95.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.6 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -60.66 -46.17 91.35 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.056 0.455 . . . . 0.0 110.589 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 21.6 m -66.15 -38.79 88.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.096 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.89 -44.9 99.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 120.857 0.361 . . . . 0.0 110.827 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.38 -45.93 90.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.765 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -67.89 -42.09 81.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.003 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.529 ' HA ' HD23 ' A' 1020 ' ' LEU . . . -56.24 -46.47 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.667 -178.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -65.16 -42.94 93.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.439 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 65.0 m80 . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.176 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . 0.462 HD11 ' HB3' ' A' ' 935' ' ' ALA . 68.3 mt -52.94 -32.12 43.98 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 122.909 0.484 . . . . 0.0 112.037 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 7.9 p -58.76 -42.73 86.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.338 0.589 . . . . 0.0 110.711 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -69.59 -46.52 66.14 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.366 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 955' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 959' ' ' VAL . 14.2 m -61.75 -42.87 99.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.079 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 34.5 t -53.21 -43.88 67.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.364 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.24 -39.7 95.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.003 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . 0.504 ' O ' ' HG2' ' A' ' 961' ' ' GLU . . . -76.94 -32.16 57.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.226 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 963' ' ' ILE . 91.1 t -70.72 -44.89 76.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.009 0.433 . . . . 0.0 110.164 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -63.18 -22.32 66.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.305 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . 0.519 ' HG3' ' HG2' ' A' ' 962' ' ' GLN . 13.3 pt-20 -85.44 -22.81 28.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.729 0.3 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . 0.745 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 88.3 mm-40 -99.37 -21.09 16.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.746 -174.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 959' ' ' VAL . 70.3 mt -55.45 -52.65 69.95 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 176.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 16.6 Cg_endo -58.28 -36.63 97.51 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.001 1.801 . . . . 0.0 112.105 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.53 -36.65 84.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.918 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.586 ' O ' HG21 ' A' ' 970' ' ' VAL . 93.5 mt -57.29 -55.75 30.78 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.061 0.458 . . . . 0.0 109.894 173.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.17 -36.33 77.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.398 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -60.49 -40.74 92.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.177 0.513 . . . . 0.0 109.698 173.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.11 -47.83 81.34 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.578 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.586 HG21 ' O ' ' A' ' 966' ' ' LEU . 62.0 t -56.37 -49.74 75.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.473 0.178 . . . . 0.0 110.965 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -59.39 -36.77 76.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.664 0.269 . . . . 0.0 111.289 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -71.95 -43.76 48.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.927 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 69.4 m -69.66 -28.74 66.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.882 0.372 . . . . 0.0 111.468 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -77.1 -32.26 56.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -77.02 -43.09 35.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.575 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -126.68 84.1 63.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.31 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.48 -7.63 19.77 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.526 2.15 . . . . 0.0 111.134 173.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -82.36 -37.05 26.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.448 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 43.9 t -72.89 115.02 35.98 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.082 -174.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . 0.407 ' O ' HD22 ' A' ' 984' ' ' LEU . 25.6 Cg_exo -62.63 -33.82 76.36 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.457 2.104 . . . . 0.0 110.818 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 30.6 m -67.96 -27.87 66.97 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.872 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -67.49 -55.75 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . 0.559 ' O ' HG13 ' A' ' 987' ' ' ILE . 5.4 mp0 -56.11 -49.53 73.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.17 176.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . 0.407 HD22 ' O ' ' A' ' 980' ' ' PRO . 3.7 mm? -56.71 -37.22 70.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.376 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.01 99.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.707 0.289 . . . . 0.0 110.641 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . 0.411 HD13 ' OE1' ' A' ' 918' ' ' GLU . 0.7 OUTLIER -68.81 -42.12 77.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 983' ' ' GLN . 78.7 mt -55.94 -48.26 78.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.371 176.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -64.09 -44.25 92.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.822 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.98 88.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.188 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.577 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 48.3 m -62.21 -46.56 88.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . 0.697 ' HA ' HD12 ' A' ' 994' ' ' LEU . 79.7 mt-30 -67.22 -34.66 77.96 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.224 0.535 . . . . 0.0 110.44 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 45.2 t -66.66 -24.15 66.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.417 176.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.429 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 87.5 t80 -90.65 -29.48 17.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.732 178.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 991' ' ' GLN . 91.2 mt -54.63 -45.1 73.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.63 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.851 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.4 tp-100 -59.29 -62.18 6.36 Favored Pre-proline 0 CA--C 1.544 0.733 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.163 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . 0.851 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 32.3 Cg_exo -60.35 -41.06 52.93 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.348 2.032 . . . . 0.0 112.598 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.442 ' O ' HG21 ' A' 1001 ' ' VAL . . . -61.28 -47.75 89.2 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.045 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.58 -30.04 73.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.149 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . 0.566 ' HD2' ' HA ' ' A' ' 996' ' ' PRO . 65.8 mttm -61.76 -47.33 85.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.648 0.261 . . . . 0.0 110.371 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 47.5 ttp -71.63 -32.29 67.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.572 -175.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 997' ' ' GLY . 87.5 t -61.14 -48.78 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.96 0.41 . . . . 0.0 110.207 175.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.13 81.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.872 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.14 89.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.284 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' 1008 ' ' VAL . . . -61.57 -46.96 87.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 0.0 110.613 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.76 -24.79 67.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.166 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -90.92 -13.26 33.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.194 -178.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 31.9 t -102.38 2.39 36.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.055 0.455 . . . . 0.0 110.489 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' 1017 ' ' ALA . 78.4 t -71.06 -56.63 5.44 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.32 176.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1009 ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' 1008 ' ' VAL . 35.5 Cg_endo -64.77 -20.45 64.88 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.132 1.888 . . . . 0.0 113.02 -176.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 34.7 p -77.65 -10.57 59.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.052 0.453 . . . . 0.0 111.041 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1011 ' ' ILE . . . . . 0.616 HG21 ' HB2' ' A' 1016 ' ' SER . 73.1 mt -95.16 111.72 26.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.142 0.496 . . . . 0.0 110.413 178.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1012 ' ' GLN . . . . . 0.501 ' NE2' ' H ' ' A' 1012 ' ' GLN . 0.9 OUTLIER -84.09 16.05 3.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.148 -178.7 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1013 ' ' ASP . . . . . 0.533 ' H ' HG22 ' A' 1011 ' ' ILE . 3.8 m-20 -96.48 -17.28 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.536 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 26.0 mp0 64.28 -56.77 0.24 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.761 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1015 ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' 1018 ' ' MET . . . -64.29 -40.56 96.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.792 0.33 . . . . 0.0 111.388 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1016 ' ' SER . . . . . 0.616 ' HB2' HG21 ' A' 1011 ' ' ILE . 16.5 m -68.33 -25.04 64.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.179 0.514 . . . . 0.0 110.261 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.615 ' HB2' HG12 ' A' 1008 ' ' VAL . . . -77.95 -45.27 24.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.92 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1018 ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' 1015 ' ' ALA . 0.0 OUTLIER -66.13 -27.24 67.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.033 0.444 . . . . 0.0 110.054 178.339 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.78 -41.15 96.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.915 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1020 ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 935' ' ' ALA . 8.9 mt -66.45 -47.41 73.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.055 176.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 15.4 t -60.06 -40.38 89.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.704 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.29 -36.49 83.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.075 0.464 . . . . 0.0 110.875 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1023 ' ' CYS . . . . . 0.724 ' HA ' ' ND2' ' A' 1026 ' ' ASN . 81.2 m -75.68 -41.55 53.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.821 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.79 75.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.372 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -63.2 -57.95 8.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.929 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1026 ' ' ASN . . . . . 0.724 ' ND2' ' HA ' ' A' 1023 ' ' CYS . 5.9 p30 -66.85 -34.0 76.84 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.055 -174.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 64.2 tp -72.18 -37.91 69.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.815 0.34 . . . . 0.0 110.214 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -60.65 -46.24 94.82 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.129 -0.557 . . . . 0.0 112.038 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 17.4 m -71.19 -32.61 69.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.677 0.275 . . . . 0.0 110.532 177.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.22 82.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.972 0.415 . . . . 0.0 110.138 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.32 -34.9 79.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.47 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.8 -55.02 40.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.963 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -73.21 -30.85 63.8 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.937 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 64.0 tp -62.28 -51.05 69.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.996 0.427 . . . . 0.0 110.182 175.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -62.99 -41.1 99.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.564 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 33.4 m -63.63 -41.18 98.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.961 0.41 . . . . 0.0 110.55 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.75 -48.12 75.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.22 -37.9 87.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -48.95 79.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.093 0.473 . . . . 0.0 110.007 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1040 ' ' LYS . . . . . 0.405 ' HZ2' ' HB2' ' A' 1040 ' ' LYS . 9.2 mtmp? -80.66 -6.09 57.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.967 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -87.7 -27.86 22.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.107 0.48 . . . . 0.0 110.109 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.113 177.748 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.523 HD11 ' HA ' ' A' 1041 ' ' ALA . 96.9 mt . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.78 0.324 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . 0.434 HG12 ' HG3' ' A' ' 983' ' ' GLN . 34.1 m -74.33 -22.26 17.84 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.679 176.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -67.37 -40.29 85.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.977 0.418 . . . . 0.0 110.65 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 913' ' ' LEU . 19.5 ptp180 -72.68 -25.48 61.27 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . 0.403 ' HB3' HD21 ' A' ' 986' ' ' LEU . 19.3 mt -72.62 -41.41 65.57 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.61 174.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.628 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 19.9 mm-40 -44.8 -66.03 0.45 Allowed 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 123.77 0.669 . . . . 0.0 111.296 178.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -56.61 -43.65 80.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.167 -176.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.98 93.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.301 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.71 82.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.291 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . 0.628 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 42.0 mttm -60.76 -42.65 97.86 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -63.29 -53.31 54.88 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.746 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . 0.436 ' HB3' ' CE2' ' A' ' 993' ' ' PHE . . . -51.61 -48.02 63.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.004 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.16 94.79 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.958 0.409 . . . . 0.0 111.102 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.68 -56.24 17.25 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.467 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 9.1 t -67.49 -32.54 73.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.916 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . 0.578 ' HB3' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.09 -45.16 95.84 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.799 0.333 . . . . 0.0 110.63 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 25.7 m -59.39 -39.7 84.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.186 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 930' ' ' GLN . 15.2 mm-40 -67.79 -44.52 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.114 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 931' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' 1023 ' ' CYS . 21.1 m -63.43 -40.96 98.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 928' ' ' ALA . 75.9 mt -61.86 -44.77 99.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.74 0.305 . . . . 0.0 110.456 177.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.09 -45.39 93.1 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.133 0.492 . . . . 0.0 110.768 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.93 82.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.939 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.451 ' HA ' HD23 ' A' 1020 ' ' LEU . . . -62.58 -49.98 73.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.581 -177.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . 0.423 ' HA ' ' OE1' ' A' ' 936' ' ' GLN . 16.1 mm-40 -64.32 -28.94 70.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.738 -177.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 120.888 0.375 . . . . 0.0 111.184 179.457 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.775 HD13 ' HB2' ' A' 1003 ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.411 0.148 . . . . 0.0 111.149 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.75 -56.81 17.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.731 0.3 . . . . 0.0 111.074 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . 0.53 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 48.5 t -63.6 -38.55 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.229 -176.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.1 -50.16 71.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.51 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 17.6 m -69.5 -39.11 77.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.462 -177.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 17.2 p -63.16 -29.58 70.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.492 0.187 . . . . 0.0 111.05 -175.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 961' ' ' GLU . 54.8 mtmt -69.64 -42.98 73.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.753 0.311 . . . . 0.0 110.472 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.0 97.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.167 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 963' ' ' ILE . 94.9 t -64.87 -42.02 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.17 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.57 -23.85 64.98 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 66.0 mt-10 -82.96 -23.98 33.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.908 0.385 . . . . 0.0 110.631 178.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -91.42 -23.6 19.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.453 -173.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.703 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 70.9 mt -56.59 -54.42 53.77 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . 0.703 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 23.9 Cg_exo -64.78 -26.48 60.19 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 121.907 1.738 . . . . 0.0 111.948 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 68.0 mt -70.0 -43.39 71.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.665 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.638 ' O ' HG21 ' A' ' 970' ' ' VAL . 83.8 mt -54.23 -58.62 6.67 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.348 175.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.57 -32.43 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.141 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -60.82 -45.71 93.39 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.19 -46.51 90.77 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.996 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.638 HG21 ' O ' ' A' ' 966' ' ' LEU . 41.8 t -54.94 -61.79 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.537 178.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.1 -31.39 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.587 -177.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -72.38 -39.35 57.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.226 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 28.5 m -69.58 -31.49 69.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.925 0.393 . . . . 0.0 110.533 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 84.0 mt-30 -64.56 -46.34 83.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.335 174.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.87 71.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.404 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . 0.451 ' HB3' ' HB2' ' A' ' 979' ' ' SER . 48.8 mt-30 -123.71 84.03 53.86 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.981 -178.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -78.54 -15.64 13.74 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.904 2.403 . . . . 0.0 112.301 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -98.43 -37.19 9.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 979' ' ' SER . . . . . 0.451 ' HB2' ' HB3' ' A' ' 976' ' ' GLN . 18.3 m -68.3 114.77 23.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 -176.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -57.51 -32.87 95.41 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.4 2.733 . . . . 0.0 113.436 -175.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 10.0 t -65.42 -29.28 69.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.755 0.312 . . . . 0.0 110.418 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -71.11 -43.81 66.9 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . 0.434 ' HG3' HG12 ' A' ' 914' ' ' VAL . 2.0 mp0 -59.63 -49.68 76.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.117 175.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.06 -30.89 69.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.011 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -64.07 -49.79 70.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.622 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 917' ' ' LEU . 0.6 OUTLIER -62.97 -49.37 74.98 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.004 0.43 . . . . 0.0 110.092 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 983' ' ' GLN . 72.5 mt -60.23 -51.36 73.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.415 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.11 96.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.345 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.97 89.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.719 0.295 . . . . 0.0 110.844 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.512 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 45.9 m -60.28 -50.21 74.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.691 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . 0.467 ' HA ' HD13 ' A' ' 994' ' ' LEU . 95.7 mt-30 -65.08 -41.13 95.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.136 0.493 . . . . 0.0 110.647 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 35.9 t -67.91 -13.56 62.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.025 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.578 ' HZ ' ' HB3' ' A' ' 928' ' ' ALA . 80.3 t80 -96.23 -33.77 11.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.775 0.321 . . . . 0.0 110.59 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 990' ' ' SER . 94.5 mt -56.11 -51.01 69.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.022 -177.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.467 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 9.4 tp-100 -62.47 -56.34 31.14 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -174.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . 0.467 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 55.5 Cg_endo -71.74 -33.91 9.68 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.725 1.617 . . . . 0.0 112.266 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.471 ' O ' HG21 ' A' 1001 ' ' VAL . . . -64.2 -40.49 98.05 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.787 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.49 -32.55 81.56 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.174 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.06 -32.55 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.942 -0.152 . . . . 0.0 110.817 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1000 ' ' MET . . . . . 0.414 ' HE2' ' HB ' ' A' ' 931' ' ' THR . 46.5 ttp -76.83 -31.49 56.92 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.472 HG13 ' HE3' ' A' 1005 ' ' LYS . 59.6 t -63.83 -48.52 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.66 172.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.892 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1003 ' ' ALA . . . . . 0.775 ' HB2' HD13 ' A' ' 951' ' ' LEU . . . -61.62 -41.7 97.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.612 ' O ' HG22 ' A' 1008 ' ' VAL . . . -65.39 -46.54 79.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.684 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1005 ' ' LYS . . . . . 0.472 ' HE3' HG13 ' A' 1001 ' ' VAL . 98.6 mttt -60.56 -27.82 67.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.343 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -88.25 -24.78 23.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.715 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1007 ' ' SER . . . . . 0.458 ' O ' HG13 ' A' 1011 ' ' ILE . 7.0 p -87.77 -31.53 19.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -177.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' 1004 ' ' ALA . 69.4 t -49.97 -54.64 30.72 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.4 -21.32 40.98 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.79 1.66 . . . . 0.0 113.031 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 47.0 p -88.27 -18.7 28.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.701 0.286 . . . . 0.0 111.414 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1011 ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' 1007 ' ' SER . 85.6 mt -90.69 119.8 38.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.073 0.463 . . . . 0.0 110.278 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -80.64 -15.87 55.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.131 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -78.45 107.84 11.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -67.71 -31.91 72.18 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.414 -173.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.6 93.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.038 0.447 . . . . 0.0 110.966 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 15.0 m -72.8 -46.31 53.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.56 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.72 -46.64 88.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.959 -176.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 90.1 mmm -70.1 -34.31 72.97 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.233 -0.187 . . . . 0.0 111.313 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -68.82 -38.26 79.74 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.505 -0.478 . . . . 0.0 109.776 177.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1020 ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 935' ' ' ALA . 16.9 mt -61.42 -46.25 90.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.401 172.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 46.0 t -55.93 -45.16 78.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.577 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -60.59 -53.06 62.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.922 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1023 ' ' CYS . . . . . 0.447 ' HB3' ' OG1' ' A' ' 931' ' ' THR . 64.5 m -61.72 -48.98 78.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.135 -177.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.09 -29.04 70.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.872 0.367 . . . . 0.0 111.182 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -69.42 -52.4 27.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.23 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -67.33 -42.66 83.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.946 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1027 ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' 1031 ' ' LEU . 51.7 tp -62.21 -41.69 98.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.703 0.287 . . . . 0.0 110.418 178.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.08 -47.49 90.53 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.082 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 8.1 m -69.86 -33.48 72.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.843 0.354 . . . . 0.0 110.734 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -63.53 -40.45 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.865 0.364 . . . . 0.0 110.061 177.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1031 ' ' LEU . . . . . 0.454 HD23 HD23 ' A' ' 994' ' ' LEU . 94.8 mt -65.57 -36.62 84.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.068 174.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.76 92.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.353 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -82.2 -16.46 49.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.213 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 52.2 tp -83.14 -47.78 11.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.893 0.378 . . . . 0.0 110.555 177.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1035 ' ' ARG . . . . . 0.467 ' HA ' HD12 ' A' ' 994' ' ' LEU . 38.4 ttp180 -55.19 -52.75 62.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.184 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1036 ' ' THR . . . . . 0.47 ' O ' ' HG2' ' A' 1040 ' ' LYS . 7.0 m -62.94 -36.43 83.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.72 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1037 ' ' ALA . . . . . 0.439 ' HB2' ' HG3' ' A' ' 916' ' ' ARG . . . -67.61 -44.38 78.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.178 -178.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.8 76.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.58 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -62.43 -44.71 95.77 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.801 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1040 ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' 1036 ' ' THR . 72.4 mmtt -60.29 -47.39 86.24 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.795 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1041 ' ' ALA . . . . . 0.523 ' HA ' HD11 ' A' ' 913' ' ' LEU . . . -62.89 -22.77 66.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.191 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.333 -178.623 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.677 HD21 HH11 ' A' ' 916' ' ' ARG . 85.8 mt . . . . . 0 CA--C 1.523 -0.09 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . 0.456 HG11 ' NE2' ' A' ' 983' ' ' GLN . 13.5 m -78.76 -24.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.941 -178.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -49.35 37.46 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . 0.677 HH11 HD21 ' A' ' 913' ' ' LEU . 8.4 ptp85 -62.26 -29.11 70.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.167 175.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . 0.674 HD22 HD22 ' A' ' 986' ' ' LEU . 0.9 OUTLIER -66.49 -51.75 53.43 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.398 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 54.1 mt-10 -51.11 -49.7 60.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.734 176.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -56.26 -37.71 70.15 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.144 -177.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -80.52 -37.46 31.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.161 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.55 -42.31 92.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.446 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 80.8 mttt -60.94 -47.67 85.33 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.51 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -71.16 -32.07 68.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.021 -176.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.38 -46.98 77.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.935 0.398 . . . . 0.0 110.014 176.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . 0.412 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.4 -43.82 92.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.62 177.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.85 -52.72 48.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.312 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 6.3 t -62.35 -38.0 87.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.978 -175.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . 0.543 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -60.84 -42.78 98.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.703 177.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 29.4 m -62.3 -37.09 84.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.539 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -70.48 -38.24 74.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.357 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 931' ' ' THR . . . . . 0.409 HG23 ' SG ' ' A' 1023 ' ' CYS . 26.8 m -65.12 -41.68 94.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.258 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.731 HG23 ' SG ' ' A' ' 956' ' ' CYS . 73.8 mt -57.84 -48.57 83.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.595 176.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -55.71 -49.12 73.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.045 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.55 94.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.96 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.69 94.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.764 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 92.0 mt-30 -70.3 -29.47 66.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.67 -177.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -177.702 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.405 ' HA ' HD22 ' A' ' 951' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.272 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . 0.427 ' HA ' ' HB2' ' A' 1003 ' ' ALA . 59.2 tp -63.97 -45.92 86.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.334 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.77 -44.87 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -58.96 -51.09 71.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 18.1 p -66.11 -36.6 83.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.73 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . 0.731 ' SG ' HG23 ' A' ' 932' ' ' ILE . 38.6 t -55.61 -48.71 74.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 176.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 961' ' ' GLU . 99.1 mttt -71.49 -40.48 70.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.763 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -56.14 -48.33 76.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 963' ' ' ILE . 78.8 t -64.08 -41.74 93.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -58.24 -27.26 63.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.694 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 14.8 mm-40 -83.25 -26.47 30.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.131 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . 0.715 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 85.7 mm-40 -88.06 -26.49 22.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.331 -175.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.588 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 81.9 mt -52.67 -51.41 73.82 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . 0.588 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 32.3 Cg_exo -57.89 -30.37 89.39 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.127 1.885 . . . . 0.0 112.591 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 67.8 mt -68.3 -38.79 82.0 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.544 0.211 . . . . 0.0 110.768 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.598 ' O ' HG22 ' A' ' 970' ' ' VAL . 82.2 mt -57.24 -60.82 3.05 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.064 0.459 . . . . 0.0 110.085 175.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . 0.638 ' O ' ' HG2' ' A' ' 971' ' ' ARG . 93.7 t -58.97 -41.2 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.308 -176.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.62 -41.58 86.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.018 0.437 . . . . 0.0 110.078 176.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -65.96 -43.99 92.56 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.76 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 966' ' ' LEU . 46.6 t -56.8 -60.12 2.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.831 0.348 . . . . 0.0 110.619 178.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 967' ' ' VAL . 10.8 ptp180 -63.85 -33.55 75.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.179 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -66.59 -38.51 93.37 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.137 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 92.6 p -74.1 -20.34 60.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.69 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 88.9 mt-30 -84.67 -31.83 23.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.476 176.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -66.16 -52.68 45.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.618 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -124.79 77.28 65.2 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.801 177.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -73.93 -14.42 23.88 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.413 2.075 . . . . 0.0 111.363 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.57 -16.53 61.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.962 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 45.7 t -102.68 117.56 60.51 Favored Pre-proline 0 N--CA 1.448 -0.563 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.409 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . 0.455 ' O ' ' HG3' ' A' ' 983' ' ' GLN . 28.3 Cg_endo -64.27 -32.59 61.77 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.397 2.065 . . . . 0.0 112.123 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 6.3 p -68.28 -23.45 64.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.83 0.348 . . . . 0.0 110.901 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -73.73 -39.15 64.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.572 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . 0.456 ' NE2' HG11 ' A' ' 914' ' ' VAL . 0.0 OUTLIER -77.33 -28.79 53.27 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.463 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . 0.564 HD12 HD13 ' A' ' 987' ' ' ILE . 2.6 mm? -65.66 -33.68 76.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.058 173.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.85 -30.3 71.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.461 175.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . 0.674 HD22 HD22 ' A' ' 917' ' ' LEU . 0.5 OUTLIER -68.78 -49.57 57.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.496 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . 0.564 HD13 HD12 ' A' ' 984' ' ' LEU . 68.0 mt -57.77 -49.49 80.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.079 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -56.37 -48.2 77.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.073 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.05 96.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.052 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.588 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 46.1 m -59.97 -50.02 75.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . 0.718 ' HA ' HD11 ' A' ' 994' ' ' LEU . 76.5 mt-30 -69.04 -30.57 68.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 26.7 t -68.54 -26.8 65.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.197 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.543 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 88.5 t80 -86.57 -33.92 20.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.862 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.718 HD11 ' HA ' ' A' ' 991' ' ' GLN . 89.8 mt -55.05 -42.09 72.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.613 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.813 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 49.0 tt0 -59.13 -62.13 6.45 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.994 -177.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . 0.813 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 14.2 Cg_exo -70.23 -35.28 11.54 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.945 1.763 . . . . 0.0 111.978 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.432 ' O ' HG22 ' A' 1001 ' ' VAL . . . -60.66 -46.16 94.99 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.147 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -63.97 -29.24 74.29 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.24 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -73.58 -32.58 64.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.522 0.201 . . . . 0.0 111.009 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1000 ' ' MET . . . . . 0.449 ' SD ' ' HA ' ' A' ' 956' ' ' CYS . 50.9 ttp -73.9 -30.21 62.48 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 997' ' ' GLY . 54.7 t -62.25 -46.9 95.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 173.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -63.92 -44.53 92.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.654 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1003 ' ' ALA . . . . . 0.427 ' HB2' ' HA ' ' A' ' 952' ' ' LEU . . . -61.52 -44.83 96.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.145 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.439 ' O ' HG22 ' A' 1008 ' ' VAL . . . -59.22 -48.22 82.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.944 0.402 . . . . 0.0 110.633 178.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -61.55 -33.47 73.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.153 178.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -79.92 -7.59 58.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.25 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1007 ' ' SER . . . . . 0.651 ' O ' HG13 ' A' 1011 ' ' ILE . 21.4 m -97.94 -25.74 14.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.063 0.459 . . . . 0.0 110.121 178.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.693 HG13 ' HB3' ' A' 1017 ' ' ALA . 82.2 t -51.56 -54.29 40.87 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.897 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1009 ' ' PRO . . . . . 0.436 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 81.9 Cg_endo -76.75 -8.71 18.16 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 121.925 1.75 . . . . 0.0 113.942 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 16.0 p -99.62 -18.96 17.07 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.706 -177.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1011 ' ' ILE . . . . . 0.651 HG13 ' O ' ' A' 1007 ' ' SER . 76.7 mt -66.54 -32.04 56.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 120.941 0.401 . . . . 0.0 111.306 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 15.4 mm100 60.57 29.12 18.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1013 ' ' ASP . . . . . 0.46 ' HB3' HG21 ' A' 1011 ' ' ILE . 27.5 t70 -138.5 109.28 6.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.252 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -52.4 -45.26 65.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.039 -175.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.91 -55.18 38.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.514 -177.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1016 ' ' SER . . . . . 0.481 ' HB2' HG23 ' A' 1011 ' ' ILE . 15.3 m -65.9 -35.65 81.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.889 0.376 . . . . 0.0 110.805 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.693 ' HB3' HG13 ' A' 1008 ' ' VAL . . . -63.69 -47.45 81.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.091 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 24.8 mmt -67.01 -30.09 70.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -63.36 -48.74 76.7 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1020 ' ' LEU . . . . . 0.607 ' HA ' ' SG ' ' A' 1023 ' ' CYS . 13.9 mt -63.62 -39.88 95.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.147 177.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 42.4 t -59.24 -41.65 89.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.468 177.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.17 -48.95 69.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.365 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1023 ' ' CYS . . . . . 0.607 ' SG ' ' HA ' ' A' 1020 ' ' LEU . 25.8 p -66.01 -38.86 89.53 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.881 -177.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.41 72.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.933 0.397 . . . . 0.0 110.627 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -65.89 -49.94 66.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.909 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.16 -50.13 73.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.684 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.79 -38.46 88.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.811 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.71 -47.37 90.61 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.528 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.4 m -73.66 -33.25 64.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.911 0.386 . . . . 0.0 110.759 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.69 96.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.181 177.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1031 ' ' LEU . . . . . 0.455 HD22 HD23 ' A' ' 994' ' ' LEU . 96.1 mt -68.51 -33.93 75.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.605 176.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.3 -57.52 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.835 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.83 -20.08 50.51 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.979 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 67.7 tp -66.11 -48.1 71.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.292 0.568 . . . . 0.0 109.575 174.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -65.39 -23.53 66.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.543 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 39.6 m -83.61 -50.28 8.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.075 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -62.95 -47.06 84.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.443 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.96 -34.7 78.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.589 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.97 -50.32 64.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.261 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -61.45 -35.14 76.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.42 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1041 ' ' ALA . . . . . 0.481 ' HA ' HD11 ' A' ' 913' ' ' LEU . . . -72.56 -33.47 66.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.362 -177.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.825 0.345 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . 0.429 ' CG1' ' HG2' ' A' ' 983' ' ' GLN . 35.5 m -69.16 -27.18 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -62.58 -36.16 81.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.675 0.274 . . . . 0.0 110.661 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -67.29 -41.55 85.25 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . 0.434 ' CB ' HD11 ' A' ' 986' ' ' LEU . 73.6 mt -60.35 -49.25 78.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.566 177.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -55.91 -52.35 64.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.084 0.469 . . . . 0.0 110.174 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -55.02 -51.0 67.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.173 -178.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -71.0 -42.49 69.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.61 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.57 96.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -177.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -65.04 -41.62 95.02 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.101 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -79.24 -27.73 42.43 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.709 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.22 -47.96 66.45 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.32 80.66 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.591 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -66.14 -57.12 8.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.888 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 69.4 m -59.53 -36.31 75.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.472 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . 0.47 ' HB1' HG12 ' A' ' 959' ' ' VAL . . . -61.15 -52.21 65.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.805 178.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 17.7 m -60.17 -38.99 84.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.458 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -65.12 -41.43 94.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.054 177.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 931' ' ' THR . . . . . 0.492 ' HB ' ' HE3' ' A' 1000 ' ' MET . 28.2 m -67.2 -35.31 79.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.527 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.532 HG22 ' HB3' ' A' ' 956' ' ' CYS . 91.6 mt -61.82 -48.77 87.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.99 0.424 . . . . 0.0 110.197 175.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.54 95.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.582 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -66.15 -45.54 80.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.965 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.615 ' HA ' HD23 ' A' 1020 ' ' LEU . . . -60.23 -34.06 73.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.394 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -97.38 9.12 43.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.628 -177.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 . . . . . 0 N--CA 1.463 0.224 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.183 178.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.609 HD13 ' HB1' ' A' 1003 ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.297 0 CA-C-O 120.715 0.293 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 83.4 mt -53.04 -69.48 0.11 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.445 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . 0.527 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 21.0 m -59.23 -36.53 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -174.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -61.38 -41.28 96.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.848 0.356 . . . . 0.0 110.504 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 955' ' ' SER . . . . . 0.49 ' O ' HG21 ' A' ' 959' ' ' VAL . 19.7 m -75.09 -41.04 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.376 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . 0.532 ' HB3' HG22 ' A' ' 932' ' ' ILE . 88.4 m -53.73 -46.28 70.79 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.398 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . 0.561 ' O ' ' HG2' ' A' ' 961' ' ' GLU . 8.6 mtmp? -62.63 -44.71 95.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.568 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.5 99.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.616 ' O ' HG13 ' A' ' 963' ' ' ILE . 93.1 t -63.73 -47.2 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.341 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . 0.415 ' HA ' HD11 ' A' ' 963' ' ' ILE . . . -59.35 -27.42 65.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.87 -177.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 22.6 mm-40 -73.44 -34.17 65.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 111.108 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . 0.443 ' HA ' ' OE1' ' A' ' 962' ' ' GLN . 14.3 mm-40 -90.67 -20.84 22.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.097 -173.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 959' ' ' VAL . 85.1 mt -55.35 -55.3 41.3 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 16.1 Cg_endo -58.46 -30.57 91.95 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.386 2.058 . . . . 0.0 112.517 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 78.2 mt -77.48 -37.09 52.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.0 0.429 . . . . 0.0 110.386 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.531 ' O ' HG22 ' A' ' 970' ' ' VAL . 46.4 tp -62.61 -50.63 70.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.649 176.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . 0.446 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 98.5 t -64.61 -34.25 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.838 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . 0.418 ' OE1' ' HA ' ' A' ' 968' ' ' GLN . 6.8 tp60 -61.11 -45.53 94.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 176.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -58.27 -40.42 93.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.564 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 966' ' ' LEU . 60.1 t -61.61 -45.49 98.55 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-O 120.63 0.252 . . . . 0.0 110.505 176.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 967' ' ' VAL . 19.3 mtp180 -56.74 -50.17 73.03 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.327 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -61.55 -32.73 82.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.005 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 50.4 m -78.5 -33.35 48.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.702 0.287 . . . . 0.0 111.183 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 50.0 mt-30 -63.3 -32.63 74.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.128 0.49 . . . . 0.0 109.941 174.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -81.45 -53.05 6.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.628 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -124.88 90.32 51.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.169 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.45 -25.39 13.12 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 122.55 2.167 . . . . 0.0 112.162 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -87.39 -5.01 59.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.545 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 33.4 t -75.07 122.0 86.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.078 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.43 -34.91 97.3 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.032 2.488 . . . . 0.0 111.672 174.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 13.1 t -67.42 -41.88 84.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.226 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -68.96 -44.66 72.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.644 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . 0.429 ' HG2' ' CG1' ' A' ' 914' ' ' VAL . 60.4 mt-30 -56.08 -51.55 67.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.436 175.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.75 -40.53 92.8 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.764 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -57.96 -49.22 77.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . 0.434 HD11 ' CB ' ' A' ' 917' ' ' LEU . 19.6 mt -56.22 -58.34 8.36 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.006 176.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' 1042 ' ' GLN . 61.7 mt -57.12 -46.6 84.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.566 -175.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -67.64 -48.76 65.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.275 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.87 -34.04 75.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.95 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.68 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 69.3 m -61.65 -49.27 77.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.622 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . 0.579 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.7 mt-30 -66.12 -37.04 84.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.049 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 50.7 m -75.88 -5.96 48.53 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.943 0.402 . . . . 0.0 111.214 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -102.4 -33.51 9.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.02 0.438 . . . . 0.0 110.012 177.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' ' 990' ' ' SER . 73.3 mt -58.34 -42.97 88.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.398 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.815 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 0.0 OUTLIER -62.19 -59.27 13.52 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.553 -177.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . 0.815 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 37.1 Cg_exo -61.37 -38.83 61.5 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.944 1.763 . . . . 0.0 111.958 177.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.511 ' O ' HG22 ' A' 1001 ' ' VAL . . . -60.65 -49.39 79.14 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.961 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.27 -34.81 86.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.207 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . 0.432 ' HE2' ' HG3' ' A' ' 995' ' ' GLN . 67.8 mttm -60.19 -44.15 95.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.316 . . . . 0.0 110.695 176.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1000 ' ' MET . . . . . 0.492 ' HE3' ' HB ' ' A' ' 931' ' ' THR . 49.3 ttp -74.69 -31.7 61.97 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.52 -177.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 997' ' ' GLY . 96.6 t -60.71 -49.18 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.1 85.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.704 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1003 ' ' ALA . . . . . 0.609 ' HB1' HD13 ' A' ' 951' ' ' LEU . . . -59.06 -45.05 91.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.185 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.636 ' O ' HG21 ' A' 1008 ' ' VAL . . . -59.65 -51.27 70.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.725 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.18 -32.92 71.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.415 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -78.88 -23.76 44.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1007 ' ' SER . . . . . 0.505 ' O ' HG13 ' A' 1011 ' ' ILE . 23.1 t -86.54 -27.78 23.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.974 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.636 HG21 ' O ' ' A' 1004 ' ' ALA . 69.7 t -47.47 -52.07 39.38 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.55 -14.36 27.59 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 121.761 1.64 . . . . 0.0 113.206 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 34.2 p -97.76 4.09 49.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.837 0.351 . . . . 0.0 111.698 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1011 ' ' ILE . . . . . 0.557 HD13 HD12 ' A' 1020 ' ' LEU . 67.8 mt -88.87 132.1 34.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.848 0.356 . . . . 0.0 110.085 177.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -64.64 -31.69 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.573 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1013 ' ' ASP . . . . . 0.422 ' H ' HG21 ' A' 1011 ' ' ILE . 26.7 t70 -102.14 124.82 48.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.96 0.409 . . . . 0.0 110.768 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.62 -38.28 86.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.78 -176.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.16 82.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.63 0.252 . . . . 0.0 111.209 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1016 ' ' SER . . . . . 0.555 ' O ' ' HB3' ' A' 1019 ' ' GLN . 6.8 p -69.62 -25.92 64.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.824 0.345 . . . . 0.0 110.941 177.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.535 ' HA ' HD11 ' A' 1011 ' ' ILE . . . -66.54 -41.32 88.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.294 0.569 . . . . 0.0 110.403 174.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 93.7 mmm -70.92 -19.9 62.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.624 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1019 ' ' GLN . . . . . 0.555 ' HB3' ' O ' ' A' 1016 ' ' SER . 7.4 tt0 -63.09 -49.04 76.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.059 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1020 ' ' LEU . . . . . 0.615 HD23 ' HA ' ' A' ' 935' ' ' ALA . 15.4 mt -64.76 -40.44 95.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.684 176.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 20.1 m -58.29 -43.78 88.2 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.968 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.7 -47.21 79.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.052 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 65.6 m -64.83 -44.57 89.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.098 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.39 -29.08 70.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.987 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -68.9 -47.71 65.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.977 0.417 . . . . 0.0 110.258 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -67.62 -44.04 78.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.794 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.36 -42.67 96.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.405 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.62 98.76 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.359 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 18.1 m -75.06 -31.57 61.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.003 0.43 . . . . 0.0 110.472 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -63.35 -47.05 83.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.086 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1031 ' ' LEU . . . . . 0.437 HD23 HD22 ' A' ' 994' ' ' LEU . 96.6 mt -65.05 -34.84 79.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.338 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.04 -47.38 81.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.748 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -63.4 -54.61 34.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.99 0.424 . . . . 0.0 110.471 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1034 ' ' LEU . . . . . 0.452 ' HG ' ' HB3' ' A' ' 990' ' ' SER . 22.9 tp -55.54 -47.71 75.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.575 -174.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -63.76 -43.36 96.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.056 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 26.9 m -69.76 -41.22 75.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.794 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -65.11 -44.85 87.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.952 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -66.5 -31.93 72.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.85 -46.09 89.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.969 0.414 . . . . 0.0 110.054 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.48 -45.08 76.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.963 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -70.2 -30.23 67.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.011 -175.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1042 ' ' GLN . . . . . 0.407 ' HA ' HD12 ' A' ' 987' ' ' ILE . 7.7 tt0 . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 121.111 0.481 . . . . 0.0 111.044 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' 1041 ' ' ALA . 92.1 mt . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.912 0.387 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . 0.467 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 29.1 m -74.46 -33.61 33.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.329 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -63.52 -36.01 82.37 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.153 0.501 . . . . 0.0 109.972 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -61.28 -48.57 80.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.603 174.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . 0.417 ' CB ' HD11 ' A' ' 986' ' ' LEU . 83.5 mt -57.79 -47.37 82.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.694 177.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.569 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 52.4 mt-10 -50.88 -58.54 5.74 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.515 0.509 . . . . 0.0 110.95 177.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -66.89 -41.13 87.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.638 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -68.59 -44.67 73.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.31 -177.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -61.94 -33.65 74.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.372 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 97.4 mttt -60.11 -51.54 69.17 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.779 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -78.69 -29.68 45.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.107 -177.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.23 85.4 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.87 88.49 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.547 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -69.57 -51.8 32.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.045 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 23.3 t -61.54 -35.25 77.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.789 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . 0.588 ' HB1' ' HZ ' ' A' ' 993' ' ' PHE . . . -59.84 -46.3 89.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 175.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 57.1 m -58.28 -40.85 83.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.586 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -65.61 -44.42 86.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.717 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 12.2 m -65.94 -42.09 90.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.716 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 928' ' ' ALA . 70.8 mt -63.22 -42.97 98.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.259 177.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -58.41 -43.23 88.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.485 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.8 81.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.704 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.21 97.44 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -176.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -64.42 -28.69 69.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.932 0.396 . . . . 0.0 110.823 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 . . . . . 0 C--N 1.326 -0.448 0 CA-C-O 121.049 0.452 . . . . 0.0 110.356 178.675 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.613 ' HG ' ' HB1' ' A' 1003 ' ' ALA . 11.8 tp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . 0.586 HD21 ' HA ' ' A' 1004 ' ' ALA . 81.6 mt -49.19 -65.48 0.56 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.437 176.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . 0.46 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 42.6 t -52.14 -39.75 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.489 -177.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -53.48 57.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 955' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 959' ' ' VAL . 35.7 m -69.77 -36.37 75.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.26 -177.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 98.2 m -58.76 -35.44 72.76 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.605 0.24 . . . . 0.0 111.159 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 68.1 mttm -62.56 -47.13 85.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.771 177.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.52 -46.16 73.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.005 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 963' ' ' ILE . 93.8 t -61.05 -43.69 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.327 -178.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -61.72 -26.34 67.99 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -80.39 -25.92 38.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 110.564 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -86.61 -26.03 24.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.471 -176.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 959' ' ' VAL . 77.0 mt -53.4 -55.7 31.98 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 21.5 Cg_endo -61.86 -28.91 81.89 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 122.053 1.835 . . . . 0.0 112.209 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 68.5 mt -69.32 -40.38 77.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.603 ' O ' HG22 ' A' ' 970' ' ' VAL . 78.8 mt -56.57 -59.0 5.64 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.121 0.486 . . . . 0.0 110.06 174.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . 0.588 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 57.3 t -61.6 -35.72 68.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.37 -176.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.49 -42.85 88.5 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.103 0.478 . . . . 0.0 109.83 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -67.47 -38.4 90.78 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.97 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 966' ' ' LEU . 41.2 t -62.18 -38.55 81.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 120.938 0.399 . . . . 0.0 110.881 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 967' ' ' VAL . 23.1 mtm180 -64.94 -34.17 77.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.689 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -77.28 -43.15 16.97 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.29 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 2.8 p -66.01 -36.98 84.75 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.24 -21.39 66.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.687 0.279 . . . . 0.0 111.245 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -92.61 -52.03 4.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.04 0.448 . . . . 0.0 110.514 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -130.87 94.91 27.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.63 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.35 -4.35 14.16 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.273 1.982 . . . . 0.0 112.129 176.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.41 -1.69 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.725 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 49.8 p -92.71 128.73 42.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.378 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -57.65 -32.77 95.41 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.572 2.182 . . . . 0.0 111.935 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 18.5 m -60.94 -47.78 84.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.862 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -70.96 -37.0 72.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.816 0.341 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . 0.445 ' HG2' HG12 ' A' ' 914' ' ' VAL . 59.9 mt-30 -61.1 -55.42 32.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.5 177.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.97 -31.38 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.033 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.56 83.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.844 0.355 . . . . 0.0 110.43 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . 0.417 HD11 ' CB ' ' A' ' 917' ' ' LEU . 35.4 mt -75.27 -57.03 4.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 175.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . . . . . . . . . 86.8 mt -52.14 -52.62 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.139 -174.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.64 75.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.171 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.55 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.246 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.671 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 48.8 m -64.5 -43.75 93.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . 0.46 ' HA ' HD12 ' A' ' 994' ' ' LEU . 77.7 mt-30 -65.85 -39.08 90.44 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.068 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 45.0 p -76.84 -5.95 50.39 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.831 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.588 ' HZ ' ' HB1' ' A' ' 928' ' ' ALA . 89.5 t80 -99.85 -38.67 8.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.153 177.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 990' ' ' SER . 81.2 mt -54.34 -48.45 71.4 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.724 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 999' ' ' LYS . 32.9 tt0 -63.14 -60.25 10.11 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.162 -174.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -64.91 -32.42 54.85 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 121.721 1.614 . . . . 0.0 112.086 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.52 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.25 -47.51 89.21 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 177.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.87 -35.77 92.47 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.031 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 68.7 mttm -58.21 -45.47 87.6 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 174.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 46.7 ttp -70.91 -30.55 66.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.972 -177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 997' ' ' GLY . 94.4 t -62.16 -46.05 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.217 0.532 . . . . 0.0 109.782 173.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.51 86.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.35 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1003 ' ' ALA . . . . . 0.613 ' HB1' ' HG ' ' A' ' 951' ' ' LEU . . . -57.98 -45.93 85.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.015 177.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.586 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -56.2 -56.71 17.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.989 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -60.88 -35.69 77.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.931 -177.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -78.6 -18.0 55.23 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -176.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 36.1 m -94.03 -24.61 17.55 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.241 -0.184 . . . . 0.0 111.325 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.66 HG12 ' HB2' ' A' 1017 ' ' ALA . 70.3 t -49.19 -51.82 53.55 Favored Pre-proline 0 CA--C 1.543 0.694 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1009 ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' 1008 ' ' VAL . 18.8 Cg_endo -58.83 -21.23 56.01 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.385 2.057 . . . . 0.0 113.834 -176.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 31.6 p -90.45 -5.8 55.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.041 0.448 . . . . 0.0 111.03 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1011 ' ' ILE . . . . . . . . . . . . . 51.9 mt -96.13 121.89 47.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.784 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1012 ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' 1012 ' ' GLN . 7.8 mm-40 -84.87 -23.11 29.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.96 0.41 . . . . 0.0 110.301 -176.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -72.59 113.61 9.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.834 174.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.67 ' HB3' ' HE3' ' A' 1018 ' ' MET . 43.1 mt-30 -60.62 -49.36 77.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.3 -175.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -55.71 -52.7 62.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.121 -174.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 15.8 m -65.93 -37.07 85.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.654 0.264 . . . . 0.0 111.123 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.66 ' HB2' HG12 ' A' 1008 ' ' VAL . . . -65.31 -44.27 88.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 110.779 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1018 ' ' MET . . . . . 0.67 ' HE3' ' HB3' ' A' 1014 ' ' GLN . 66.4 mtt -63.84 -47.66 79.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.467 178.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -60.7 -44.53 96.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.753 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 62.3 tp -56.9 -47.86 79.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.014 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 47.5 t -67.5 -38.1 83.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.841 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1022 ' ' GLN . . . . . 0.408 ' HA ' ' OE1' ' A' 1022 ' ' GLN . 6.8 tp60 -66.13 -49.42 67.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 -177.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 72.5 m -62.18 -38.12 87.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.792 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.59 86.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -64.82 -40.48 95.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 110.645 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -64.81 -47.18 78.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.176 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1027 ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' A' 1031 ' ' LEU . 57.2 tp -61.57 -44.92 96.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.846 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.0 -39.51 94.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.539 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.7 m -77.27 -32.5 55.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.922 0.391 . . . . 0.0 110.653 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.52 96.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.255 0.55 . . . . 0.0 110.066 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1031 ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' 1027 ' ' LEU . 84.4 mt -65.51 -35.28 80.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.533 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.44 -48.45 71.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.456 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -81.99 -34.71 29.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.562 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.06 -42.1 99.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.008 0.432 . . . . 0.0 110.364 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1035 ' ' ARG . . . . . 0.505 ' HA ' HD11 ' A' ' 994' ' ' LEU . 44.0 ttm180 -58.96 -50.98 72.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.843 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 18.2 m -60.82 -34.38 74.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.103 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -73.0 -53.89 10.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.177 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.06 82.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.872 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -62.48 -49.82 73.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.916 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -77.31 -26.95 52.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.311 -177.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1041 ' ' ALA . . . . . 0.504 ' HA ' HD11 ' A' ' 913' ' ' LEU . . . -68.77 -25.99 64.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.025 0.44 . . . . 0.0 110.974 178.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 58.6 tt0 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.753 -178.838 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' 1041 ' ' ALA . 84.0 mt . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.698 0.285 . . . . 0.0 111.356 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 27.8 m -74.44 -27.23 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.941 0.401 . . . . 0.0 111.142 -178.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -66.63 -39.17 88.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.084 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -56.74 -46.17 81.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.735 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . 0.518 ' HB3' HD22 ' A' ' 986' ' ' LEU . 86.1 mt -61.11 -50.11 74.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.299 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -48.48 -52.4 22.55 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.174 0.512 . . . . 0.0 111.7 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -77.26 -39.35 48.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.584 -173.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -68.4 -40.26 81.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.583 0.23 . . . . 0.0 111.256 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.56 -40.2 88.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.489 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -65.93 -40.57 91.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.615 0.245 . . . . 0.0 111.431 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -76.78 -33.18 58.05 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.591 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.61 82.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 110.189 175.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.53 -41.84 86.41 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.448 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 930' ' ' GLN . . . -64.8 -56.0 16.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.188 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 72.2 m -58.5 -36.98 74.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.508 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . 0.525 ' HB1' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.86 -47.36 85.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 110.294 176.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 27.1 m -62.69 -35.85 81.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.406 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 926' ' ' ALA . 54.7 mt-30 -63.87 -43.8 95.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 176.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 5.0 m -65.88 -41.53 91.46 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.255 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.485 HG23 ' SG ' ' A' ' 956' ' ' CYS . 62.6 mt -59.24 -41.79 85.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.142 176.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -68.99 -5.42 21.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.83 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -107.96 -39.71 5.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.165 0.507 . . . . 0.0 109.807 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -60.28 -54.17 48.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.02 -177.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -92.72 12.07 24.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.959 0.409 . . . . 0.0 111.137 -176.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 14.9 t60 . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.967 177.817 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.576 ' O ' ' HB1' ' A' 1003 ' ' ALA . 4.4 mm? . . . . . 0 C--O 1.227 -0.107 0 CA-C-O 121.251 0.548 . . . . 0.0 109.977 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' 1004 ' ' ALA . 18.5 mt -152.6 -63.07 0.16 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.232 175.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . 0.464 HG12 ' NZ ' ' A' ' 957' ' ' LYS . 47.7 t -63.06 -34.56 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.638 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -64.73 -59.28 4.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.826 178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 13.9 m -63.74 -28.32 69.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.794 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . 0.485 ' SG ' HG23 ' A' ' 932' ' ' ILE . 10.6 t -54.51 -44.51 72.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 175.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 961' ' ' GLU . 63.5 mttp -59.4 -47.41 85.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.85 99.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.976 0.417 . . . . 0.0 110.94 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.477 ' O ' HG13 ' A' ' 963' ' ' ILE . 91.9 t -68.14 -47.44 78.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.283 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -64.48 -21.63 66.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 53.2 mm-40 -86.86 -15.76 38.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.925 0.393 . . . . 0.0 110.909 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . 0.611 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 85.1 mm-40 -94.84 -23.34 17.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.665 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.495 ' N ' ' HD2' ' A' ' 964' ' ' PRO . 78.1 mt -55.58 -52.38 72.42 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.405 179.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 13.2 Cg_endo -56.86 -30.66 86.28 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.234 1.956 . . . . 0.0 112.492 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.22 -39.72 86.3 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.647 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.652 ' O ' HG21 ' A' ' 970' ' ' VAL . 97.1 mt -57.96 -57.58 12.19 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.163 0.506 . . . . 0.0 109.879 175.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.0 -37.6 78.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.167 -176.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.06 -43.79 98.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -61.61 -44.85 97.41 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.906 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.652 HG21 ' O ' ' A' ' 966' ' ' LEU . 24.5 t -56.93 -49.06 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 120.967 0.413 . . . . 0.0 110.249 177.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -60.13 -41.93 93.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.851 178.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.38 -43.72 98.36 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.351 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 23.0 t -72.73 -17.03 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 0.0 111.188 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -90.33 -37.67 13.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.69 0.281 . . . . 0.0 110.809 176.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -70.53 -36.88 73.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.176 0.512 . . . . 0.0 110.22 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -123.89 87.93 52.64 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.783 175.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.99 -25.03 66.76 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.846 2.364 . . . . 0.0 112.341 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -127.89 80.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.335 0.588 . . . . 0.0 109.447 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 39.2 t -152.29 119.45 3.15 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.997 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.54 -28.94 83.8 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.623 2.215 . . . . 0.0 111.535 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 27.9 m -64.51 -47.58 78.36 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.09 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.5 91.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.349 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . 0.441 ' O ' HG13 ' A' ' 987' ' ' ILE . 54.2 mt-30 -57.62 -61.94 2.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.032 177.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.64 -33.0 72.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.473 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -61.02 -49.14 78.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 110.622 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 917' ' ' LEU . 1.1 tt -66.0 -45.17 82.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.802 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 983' ' ' GLN . 87.5 mt -58.07 -51.18 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.944 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.49 93.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.026 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.91 92.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.998 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.674 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.1 m -60.44 -48.29 82.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.38 178.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . 0.672 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.2 mt-30 -66.04 -37.09 84.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 20.6 t -66.14 -27.72 68.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.464 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.525 ' HZ ' ' HB1' ' A' ' 928' ' ' ALA . 83.4 t80 -83.29 -31.22 27.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.638 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 990' ' ' SER . 94.4 mt -55.25 -44.9 75.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.6 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.838 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 7.2 tp60 -60.19 -62.43 5.94 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.827 -176.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . 0.838 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 23.2 Cg_exo -65.04 -40.99 18.22 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.003 1.802 . . . . 0.0 112.135 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.51 ' O ' HG21 ' A' 1001 ' ' VAL . . . -60.44 -46.64 93.97 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.068 -179.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.91 -35.73 90.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.446 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -69.8 -33.29 72.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.637 0.256 . . . . 0.0 110.792 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 9.8 tmm? -77.32 -25.48 51.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 997' ' ' GLY . 88.1 t -59.23 -45.46 92.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 172.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -70.02 -42.77 72.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.482 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1003 ' ' ALA . . . . . 0.576 ' HB1' ' O ' ' A' ' 951' ' ' LEU . . . -58.62 -40.84 84.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.219 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.472 ' HA ' HD23 ' A' ' 952' ' ' LEU . . . -65.56 -46.38 79.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.071 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1005 ' ' LYS . . . . . 0.485 ' HE2' HG11 ' A' 1001 ' ' VAL . 67.3 mttm -56.9 -44.78 82.71 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.96 0.409 . . . . 0.0 111.373 -179.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -69.63 -20.97 63.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.752 -176.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1007 ' ' SER . . . . . 0.423 ' O ' HG13 ' A' 1011 ' ' ILE . 19.4 m -92.02 -16.04 27.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.453 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' 1004 ' ' ALA . 97.0 t -55.74 -53.17 65.73 Favored Pre-proline 0 CA--C 1.541 0.615 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1009 ' ' PRO . . . . . 0.407 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 61.2 Cg_endo -73.59 -14.03 24.77 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.948 1.765 . . . . 0.0 113.564 -177.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 20.3 p -90.39 -21.11 22.12 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.26 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1011 ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' 1007 ' ' SER . 79.8 mt -82.28 127.36 39.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -79.34 -28.04 42.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.37 107.43 3.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.146 176.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -60.88 -45.75 93.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.458 -174.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.85 82.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.768 0.318 . . . . 0.0 110.968 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 29.2 m -72.79 -39.36 66.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.75 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -63.09 -48.23 79.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.051 0.453 . . . . 0.0 110.589 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 26.5 mmt -62.18 -37.82 86.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.378 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.62 -41.61 97.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.62 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1020 ' ' LEU . . . . . 0.43 HD21 ' HA ' ' A' 1020 ' ' LEU . 10.5 mt -59.68 -54.28 48.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.401 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 22.1 t -62.22 -39.66 93.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.754 0.312 . . . . 0.0 110.545 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1022 ' ' GLN . . . . . 0.408 ' OE1' ' HE3' ' A' 1025 ' ' LYS . 7.7 tp60 -57.85 -48.67 79.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.604 178.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 62.4 m -72.87 -45.12 60.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.162 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.52 -43.04 93.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.972 -177.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1025 ' ' LYS . . . . . 0.408 ' HE3' ' OE1' ' A' 1022 ' ' GLN . 18.8 pttp -67.09 -35.09 79.04 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.538 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.36 -40.75 70.44 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.354 -0.385 . . . . 0.0 109.989 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1027 ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' 1031 ' ' LEU . 48.5 tp -59.64 -38.06 80.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.868 176.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.25 -47.75 89.29 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.566 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 4.3 m -71.26 -34.69 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.995 0.426 . . . . 0.0 110.472 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -59.66 -47.98 83.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.165 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1031 ' ' LEU . . . . . 0.464 HD23 HD21 ' A' ' 994' ' ' LEU . 96.7 mt -65.7 -34.57 78.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.717 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.83 -56.9 15.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.209 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.59 -29.86 59.42 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.37 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.66 -46.97 87.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.917 0.389 . . . . 0.0 109.994 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -61.88 -43.76 98.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.194 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1036 ' ' THR . . . . . 0.528 HG23 ' HE2' ' A' 1040 ' ' LYS . 27.6 m -63.78 -43.64 95.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.82 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -63.5 -48.37 77.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.051 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1038 ' ' ALA . . . . . 0.423 ' HA ' HD23 ' A' ' 917' ' ' LEU . . . -63.19 -33.38 75.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.737 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1039 ' ' GLN . . . . . 0.886 HE21 ' HA ' ' A' 1039 ' ' GLN . 0.0 OUTLIER -67.97 -41.32 82.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.476 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1040 ' ' LYS . . . . . 0.528 ' HE2' HG23 ' A' 1036 ' ' THR . 68.0 mttm -65.89 -47.05 76.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.947 0.403 . . . . 0.0 110.858 178.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1041 ' ' ALA . . . . . 0.546 ' HA ' HD12 ' A' ' 913' ' ' LEU . . . -68.13 -21.29 64.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.703 -176.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.02 -176.567 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 120.865 0.364 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . 0.53 HG11 HD12 ' A' ' 917' ' ' LEU . 27.1 m -77.4 -21.06 14.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.979 177.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -57.59 -37.4 73.14 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.362 0.601 . . . . 0.0 109.85 171.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -68.56 -43.19 77.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.773 175.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . 0.53 HD12 HG11 ' A' ' 914' ' ' VAL . 87.1 mt -60.02 -42.13 93.7 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.324 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 94.4 mt-10 -54.49 -45.6 73.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.057 0.456 . . . . 0.0 110.93 178.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -69.47 -50.53 44.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -62.86 -40.19 96.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.6 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.36 87.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.514 0.197 . . . . 0.0 111.409 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -66.53 -40.27 89.05 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.971 -0.291 . . . . 0.0 111.163 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -75.43 -30.18 59.95 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.462 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.31 -47.07 68.56 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 175.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -59.14 -41.01 87.27 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.392 176.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.34 -56.38 16.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.946 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 46.6 m -59.13 -37.86 78.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.9 -178.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . 0.513 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -60.25 -51.19 70.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.46 176.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 27.1 m -58.1 -43.79 87.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.628 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . 0.452 ' OE1' ' HA ' ' A' ' 930' ' ' GLN . 12.4 mm-40 -64.03 -41.28 97.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.928 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 931' ' ' THR . . . . . 0.485 ' HB ' ' HE2' ' A' 1000 ' ' MET . 31.3 m -67.25 -37.15 83.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.775 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.505 ' O ' ' HG3' ' A' ' 936' ' ' GLN . 71.9 mt -61.43 -50.5 80.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.796 0.331 . . . . 0.0 110.27 176.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.73 87.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.878 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -67.66 -41.91 83.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.721 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.697 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -61.16 -43.62 98.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.132 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 92.3 mt-30 -61.08 -41.17 96.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.048 0.451 . . . . 0.0 110.35 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 76.0 t60 . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.171 -179.511 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.519 ' HA ' ' OE1' ' A' ' 954' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.076 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . 0.697 ' HB3' ' HB1' ' A' ' 935' ' ' ALA . 89.2 mt -48.07 -55.4 10.28 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.486 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . 0.469 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 39.5 t -55.89 -38.9 54.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.773 -175.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . 0.519 ' OE1' ' HA ' ' A' ' 951' ' ' LEU . 46.7 mt-30 -55.68 -49.93 71.63 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.314 0.578 . . . . 0.0 110.382 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 955' ' ' SER . . . . . 0.425 ' O ' HG21 ' A' ' 959' ' ' VAL . 16.7 m -67.9 -41.58 82.47 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.741 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 70.8 m -58.38 -36.47 73.57 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.562 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . 0.596 ' HZ1' ' HB3' ' A' ' 957' ' ' LYS . 9.0 mtpm? -65.76 -39.43 91.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.773 0.32 . . . . 0.0 110.905 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -72.48 -42.73 64.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.19 0.519 . . . . 0.0 110.625 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 963' ' ' ILE . 86.4 t -59.21 -42.17 86.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.597 177.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.9 -22.28 64.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.9 -178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -75.87 -29.57 58.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 110.797 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . 0.44 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 14.5 mm100 -98.7 -18.74 17.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -174.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 959' ' ' VAL . 73.6 mt -55.45 -55.04 44.39 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.8 Cg_endo -60.51 -29.84 89.47 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.882 1.721 . . . . 0.0 112.073 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.85 -37.8 79.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.616 ' O ' HG23 ' A' ' 970' ' ' VAL . 85.4 mt -59.65 -57.77 11.47 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.138 0.494 . . . . 0.0 109.868 174.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . 0.419 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 33.4 t -63.13 -35.58 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.969 -176.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.36 -42.8 96.51 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -63.19 -42.32 99.42 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.759 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 966' ' ' LEU . 16.6 t -60.66 -44.08 96.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 120.981 0.42 . . . . 0.0 109.945 177.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 971' ' ' ARG . 42.6 mtm-85 -71.13 -8.48 53.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.999 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -89.44 -47.91 3.9 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 27.9 t -63.95 -37.58 87.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 110.371 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -87.8 10.15 19.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.068 0.461 . . . . 0.0 111.226 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -111.58 -44.03 3.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 172.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -132.53 85.42 48.1 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.998 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -70.08 -18.31 35.57 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.164 2.576 . . . . 0.0 112.876 -176.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -90.34 -19.14 24.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.986 0.422 . . . . 0.0 110.504 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 34.0 t -72.07 123.78 89.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.55 -19.07 37.58 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.635 2.224 . . . . 0.0 111.417 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 33.4 t -65.38 -33.59 76.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.828 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -67.23 -32.4 73.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.596 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . 0.513 ' HG2' HG13 ' A' ' 914' ' ' VAL . 79.9 mt-30 -60.97 -63.66 1.22 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.598 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.44 -29.35 69.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.67 76.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.777 0.322 . . . . 0.0 110.192 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 16.5 mt -68.86 -50.05 53.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.102 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . 0.46 HG22 ' HG2' ' A' 1042 ' ' GLN . 81.2 mt -54.72 -53.02 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.606 -176.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.58 89.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.233 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.52 94.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.736 0.303 . . . . 0.0 110.497 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.69 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 41.5 m -64.2 -49.4 72.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.546 178.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . 0.612 ' HA ' HD11 ' A' ' 994' ' ' LEU . 97.4 mt-30 -60.26 -43.76 95.88 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.195 0.521 . . . . 0.0 110.828 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 17.6 t -73.01 -10.97 60.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.872 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.513 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 85.8 t80 -94.36 -31.24 14.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.913 0.387 . . . . 0.0 110.181 176.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' A' ' 990' ' ' SER . 78.7 mt -56.76 -43.31 80.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.442 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.492 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 29.4 tt0 -63.05 -62.43 5.65 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.78 -177.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . 0.492 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 35.5 Cg_endo -65.39 -33.98 45.47 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.751 1.634 . . . . 0.0 112.148 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.466 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.52 -47.27 90.6 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.718 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.7 -31.97 79.9 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.166 -0.54 . . . . 0.0 111.958 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.22 -33.0 74.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.635 0.255 . . . . 0.0 110.887 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1000 ' ' MET . . . . . 0.485 ' HE2' ' HB ' ' A' ' 931' ' ' THR . 47.0 ttp -78.71 -33.25 46.94 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.09 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 997' ' ' GLY . 58.0 t -62.76 -46.74 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 174.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.85 -48.18 81.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.429 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.69 83.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.04 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.599 ' O ' HG21 ' A' 1008 ' ' VAL . . . -62.96 -52.25 63.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.756 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.72 -27.52 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.41 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -85.96 -19.87 29.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.537 -178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1007 ' ' SER . . . . . 0.644 ' O ' HG13 ' A' 1011 ' ' ILE . 50.4 m -86.94 -25.76 24.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.661 0.267 . . . . 0.0 110.533 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.661 HG11 ' HB3' ' A' 1017 ' ' ALA . 85.0 t -52.45 -51.81 69.3 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1009 ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' 1008 ' ' VAL . 41.7 Cg_endo -67.01 -22.24 48.29 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 121.963 1.775 . . . . 0.0 112.722 -175.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 74.9 p -95.17 3.0 55.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.25 0.548 . . . . 0.0 110.683 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1011 ' ' ILE . . . . . 0.644 HG13 ' O ' ' A' 1007 ' ' SER . 77.0 mt -93.93 121.28 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 170.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -95.82 7.45 46.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.216 0.532 . . . . 0.0 110.706 -175.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1013 ' ' ASP . . . . . 0.41 ' H ' HG22 ' A' 1011 ' ' ILE . 24.0 t70 -105.45 117.98 35.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.349 170.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' 1018 ' ' MET . 25.2 tp60 -57.85 -46.63 84.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.752 -174.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -63.67 -44.48 93.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.86 -175.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 19.6 m -65.17 -39.54 93.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.863 0.363 . . . . 0.0 110.766 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.661 ' HB3' HG11 ' A' 1008 ' ' VAL . . . -65.85 -40.44 91.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.251 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1018 ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' 1014 ' ' GLN . 83.1 mtp -67.66 -28.88 68.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -64.68 -42.97 94.98 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1020 ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 935' ' ' ALA . 13.8 mt -64.02 -47.29 80.84 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 176.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 34.6 t -57.22 -43.47 82.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.764 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -51.34 69.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 56.1 m -67.66 -46.22 73.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.281 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.08 96.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.092 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 20.7 pttp -65.62 -35.29 80.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.867 0.365 . . . . 0.0 110.607 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -76.01 -41.38 51.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.524 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1027 ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' 1031 ' ' LEU . 65.1 tp -60.71 -45.07 95.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.231 175.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.54 -41.82 97.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.376 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 8.8 m -72.23 -36.5 69.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.996 0.427 . . . . 0.0 110.321 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -58.76 -44.07 90.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.928 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1031 ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' 1027 ' ' LEU . 99.1 mt -65.61 -37.95 88.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.578 176.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -55.66 -56.2 23.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.636 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.98 -31.05 64.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.13 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 65.7 tp -63.93 -49.54 72.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.983 0.42 . . . . 0.0 110.306 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -56.19 -48.42 76.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.107 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 19.1 m -63.04 -42.88 99.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.29 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -69.13 -41.28 77.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.058 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.73 95.94 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.795 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -59.89 -46.34 89.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.53 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -64.25 -41.85 96.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.744 -177.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -68.14 -28.5 67.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.217 0.532 . . . . 0.0 110.53 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1042 ' ' GLN . . . . . 0.46 ' HG2' HG22 ' A' ' 987' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.257 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' 1040 ' ' LYS . 95.8 mt . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.554 0.216 . . . . 0.0 111.567 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . 0.518 HG11 ' HG3' ' A' ' 983' ' ' GLN . 15.9 m -69.77 -26.63 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.837 0.351 . . . . 0.0 110.996 -176.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -72.57 -36.4 68.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.092 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -69.66 -34.96 74.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.565 174.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.6 -44.03 97.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.264 176.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -54.9 -52.69 62.09 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.042 0.448 . . . . 0.0 110.721 174.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -60.01 -32.88 71.29 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.806 -177.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -75.87 -43.27 46.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.748 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.73 99.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.919 0.39 . . . . 0.0 111.183 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.98 -45.8 90.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.046 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -73.65 -31.04 63.29 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.483 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.69 -46.65 78.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 176.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . 0.413 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -58.35 -43.53 88.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.451 176.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 930' ' ' GLN . . . -62.93 -52.8 61.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.465 178.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 34.7 m -64.34 -32.74 74.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.061 -177.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . 0.581 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -64.86 -41.12 95.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.251 175.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 32.6 m -59.94 -42.87 94.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.248 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 926' ' ' ALA . 79.6 mt-30 -58.97 -45.8 89.66 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.328 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 19.9 m -68.86 -39.49 79.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.288 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 928' ' ' ALA . 63.6 mt -64.47 -43.7 96.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 177.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.79 -35.7 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.117 0.484 . . . . 0.0 110.569 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -73.65 -43.36 59.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.588 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -58.74 -45.79 88.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.313 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -63.61 -27.61 69.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.237 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.617 -174.879 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 951' ' ' LEU . 4.3 mm? . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . 0.468 ' HB3' ' HB1' ' A' ' 935' ' ' ALA . 25.7 mt -56.02 -43.77 78.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.358 -178.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . 0.694 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 90.4 t -63.46 -29.04 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.829 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -72.02 -51.63 20.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.465 0.65 . . . . 0.0 109.87 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 955' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 959' ' ' VAL . 15.1 m -62.2 -44.01 97.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.613 -177.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . 0.694 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 20.8 p -63.39 -26.34 68.7 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -176.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 953' ' ' VAL . 39.2 mmtm -63.46 -49.49 73.44 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.797 0.332 . . . . 0.0 110.409 175.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.94 75.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.919 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' ' 963' ' ' ILE . 87.1 t -62.95 -40.11 87.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 178.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -64.73 -14.18 57.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.623 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 36.1 mt-10 -88.99 -34.04 16.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.1 0.476 . . . . 0.0 110.198 176.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . 0.424 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 86.8 mm-40 -85.65 -27.09 25.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.129 -174.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.697 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 80.6 mt -55.53 -53.98 56.34 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 177.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . 0.697 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 31.7 Cg_exo -59.94 -31.22 93.35 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.966 1.777 . . . . 0.0 112.167 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 73.8 mt -68.57 -41.78 79.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.737 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.623 ' O ' HG21 ' A' ' 970' ' ' VAL . 46.1 mt -54.62 -59.95 4.01 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.075 0.464 . . . . 0.0 110.248 173.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 49.6 t -62.01 -32.55 54.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.271 -176.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -61.59 -43.79 98.21 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 174.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.82 -43.15 92.3 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.922 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.623 HG21 ' O ' ' A' ' 966' ' ' LEU . 39.4 t -57.71 -51.13 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 CA-C-O 120.973 0.416 . . . . 0.0 110.164 178.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -66.02 -26.41 67.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.67 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.92 -41.96 99.77 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.527 174.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 28.7 t -71.97 -21.97 61.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.347 0.594 . . . . 0.0 109.888 176.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -86.15 -2.39 58.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.648 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -116.0 -39.76 3.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.634 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . 0.409 ' HB3' ' HB2' ' A' ' 979' ' ' SER . 45.1 mt-30 -136.44 68.4 60.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.426 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.54 -33.06 57.92 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.545 2.164 . . . . 0.0 113.053 -174.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -83.68 -17.8 40.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.89 0.376 . . . . 0.0 110.633 -177.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 979' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' A' ' 976' ' ' GLN . 21.1 m -82.13 124.89 78.28 Favored Pre-proline 0 N--CA 1.443 -0.791 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.797 -177.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.51 -20.15 47.98 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.983 2.455 . . . . 0.0 112.327 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 2.1 m -57.9 -43.84 86.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.684 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.96 97.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.589 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . 0.518 ' HG3' HG11 ' A' ' 914' ' ' VAL . 2.0 mp0 -61.55 -51.31 69.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.666 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.17 -40.28 81.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.054 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.18 -50.32 70.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.766 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 8.6 mt -58.51 -53.05 62.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.502 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' A' 1042 ' ' GLN . 75.0 mt -56.79 -47.06 83.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.927 -177.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -63.99 -51.58 63.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.129 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.23 93.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.374 -177.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.582 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 41.3 m -61.48 -49.39 76.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.213 -179.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . 0.728 ' HA ' HD12 ' A' ' 994' ' ' LEU . 77.1 mt-30 -67.52 -35.38 79.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.04 0.447 . . . . 0.0 110.685 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 32.5 t -66.25 -36.26 82.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.463 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.581 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 91.7 t80 -71.33 -32.71 68.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.0 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' A' ' 991' ' ' GLN . 74.7 mt -58.41 -32.75 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.208 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.687 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 61.7 tt0 -60.19 -63.4 4.31 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.917 -176.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 72.1 Cg_endo -78.21 -28.3 4.84 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.484 1.456 . . . . 0.0 112.207 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.452 ' O ' HG21 ' A' 1001 ' ' VAL . . . -62.93 -49.88 68.54 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.159 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -63.44 -34.11 89.06 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.165 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 67.0 mttm -72.17 -31.81 66.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.443 0.163 . . . . 0.0 110.721 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 52.8 ttp -71.71 -33.92 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.452 HG21 ' O ' ' A' ' 997' ' ' GLY . 60.9 t -62.75 -45.32 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 173.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -60.89 -49.05 79.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.768 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -61.18 -42.25 98.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.801 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.549 ' O ' HG21 ' A' 1008 ' ' VAL . . . -59.16 -53.74 54.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.775 179.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.46 -36.54 78.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -74.56 -28.63 61.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.552 -177.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1007 ' ' SER . . . . . 0.487 ' O ' HG13 ' A' 1011 ' ' ILE . 56.7 p -81.62 -22.01 37.92 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.153 -0.219 . . . . 0.0 111.529 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.7 HG13 ' HB2' ' A' 1017 ' ' ALA . 75.9 t -50.44 -56.6 17.35 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1009 ' ' PRO . . . . . 0.478 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 73.2 Cg_endo -75.83 -4.86 15.75 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.03 1.82 . . . . 0.0 113.541 -177.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 26.6 p -101.41 -14.41 17.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.885 0.374 . . . . 0.0 111.355 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1011 ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' 1007 ' ' SER . 66.9 mt -85.15 131.22 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.035 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -70.85 -32.65 69.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.905 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 21.3 t70 -79.12 107.55 11.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.481 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.47 -35.68 81.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.455 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.51 83.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.952 0.406 . . . . 0.0 110.756 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 20.3 m -65.4 -35.62 81.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.783 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.7 ' HB2' HG13 ' A' 1008 ' ' VAL . . . -62.78 -45.58 92.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.483 177.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 26.4 mmt -66.14 -37.7 86.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.639 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -60.1 -43.61 95.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.314 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.83 -44.01 94.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.033 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 29.6 t -59.59 -28.22 66.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.782 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -78.95 -53.11 7.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 60.2 m -62.27 -47.32 84.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.441 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.7 -27.23 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.201 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -70.83 -43.98 67.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.955 0.407 . . . . 0.0 109.953 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -64.72 -52.39 57.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.137 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1027 ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' 1031 ' ' LEU . 58.9 tp -60.49 -46.48 89.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.132 -178.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.27 -44.37 96.55 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.822 -178.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.0 m -75.08 -32.68 61.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.85 0.357 . . . . 0.0 110.557 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.96 96.39 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1031 ' ' LEU . . . . . 0.545 HD23 HD23 ' A' ' 994' ' ' LEU . 95.9 mt -64.74 -32.84 74.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.808 176.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.34 -54.02 51.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.086 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.39 -28.0 46.89 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.871 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 65.4 tp -61.11 -50.16 74.38 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 120.891 0.376 . . . . 0.0 110.155 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -59.38 -41.18 88.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.526 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 24.4 m -68.56 -45.59 71.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -69.1 -37.25 78.31 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.099 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1038 ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' 1042 ' ' GLN . . . -64.38 -35.97 82.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 178.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -74.13 -37.47 64.06 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1040 ' ' LYS . . . . . 0.463 ' HB3' HD21 ' A' ' 913' ' ' LEU . 46.9 mttm -56.19 -57.74 10.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.858 175.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -65.1 -21.33 66.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.272 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1042 ' ' GLN . . . . . 0.621 ' HA ' HD12 ' A' ' 987' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.114 -177.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.616 0.246 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . 0.455 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 22.8 m -79.45 -34.42 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.334 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -62.61 -43.11 99.64 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.8 0.333 . . . . 0.0 111.054 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -67.09 -34.43 77.63 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.167 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . 0.776 ' HB3' HD13 ' A' ' 986' ' ' LEU . 9.6 mt -62.26 -48.75 78.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.804 177.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 69.2 mt-10 -52.1 -46.12 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.26 0.553 . . . . 0.0 111.199 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -79.98 -36.76 35.55 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.429 -174.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . 0.43 ' HA ' ' HG2' ' A' ' 923' ' ' GLN . . . -69.36 -37.25 77.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . 0.478 ' HB2' HG22 ' A' ' 970' ' ' VAL . . . -66.66 -40.76 88.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.928 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 7.5 mtmp? -68.61 -37.67 79.97 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.272 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 920' ' ' ALA . 10.8 pt20 -72.68 -33.67 66.69 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.05 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -66.0 -48.5 71.0 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.62 -43.36 89.62 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.876 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.05 -52.65 61.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.317 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 927' ' ' SER . . . . . 0.514 ' O ' ' HG2' ' A' ' 930' ' ' GLN . 50.9 m -62.4 -37.83 87.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.935 -178.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . 0.482 ' O ' HG13 ' A' ' 932' ' ' ILE . . . -61.41 -44.83 96.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.847 0.356 . . . . 0.0 110.452 177.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 86.1 m -55.8 -48.79 74.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.517 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 927' ' ' SER . 19.4 pt20 -69.63 -36.89 76.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.655 -176.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 30.4 m -63.54 -40.93 98.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.741 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.544 ' O ' ' HG3' ' A' ' 936' ' ' GLN . 67.2 mt -59.08 -45.92 92.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.76 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.99 95.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.965 0.412 . . . . 0.0 110.869 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . 0.488 ' HB3' ' HG3' ' A' 1019 ' ' GLN . . . -66.07 -40.39 90.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.221 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.727 ' HB2' ' HB3' ' A' ' 952' ' ' LEU . . . -60.91 -40.65 93.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.363 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 69.7 mt-30 -64.15 -43.65 94.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.391 . . . . 0.0 110.504 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 86.0 t60 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.586 179.781 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.699 0.285 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . 0.727 ' HB3' ' HB2' ' A' ' 935' ' ' ALA . 91.6 mt -52.25 -64.16 0.91 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.47 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 35.2 m -59.82 -33.98 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-O 120.966 0.412 . . . . 0.0 111.731 -176.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -65.47 -46.88 78.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.326 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 955' ' ' SER . . . . . 0.437 ' O ' HG22 ' A' ' 959' ' ' VAL . 31.2 p -65.96 -36.1 82.39 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.758 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . 0.525 ' HB3' HG23 ' A' ' 932' ' ' ILE . 72.9 m -59.74 -35.36 74.41 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.76 0.314 . . . . 0.0 111.346 178.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 62.0 mttp -61.55 -46.46 89.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.802 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -69.17 -42.45 75.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.881 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.554 ' O ' HG13 ' A' ' 963' ' ' ILE . 85.8 t -59.37 -43.36 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.53 -24.53 65.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.896 -177.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -76.39 -30.28 57.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.791 0.329 . . . . 0.0 110.966 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.06 -21.93 18.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.951 -173.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 959' ' ' VAL . 74.4 mt -51.85 -54.23 42.56 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 18.1 Cg_endo -59.43 -24.86 76.49 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.236 1.957 . . . . 0.0 113.025 -178.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 39.4 mt -71.09 -38.12 72.42 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.576 0.227 . . . . 0.0 110.709 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 970' ' ' VAL . 84.4 mt -58.37 -55.88 29.29 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.257 0.551 . . . . 0.0 109.691 175.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . 0.423 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 26.8 t -61.68 -35.61 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.867 -176.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -57.35 -49.31 76.55 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 110.147 173.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -61.93 -41.94 99.7 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.022 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 966' ' ' LEU . 42.1 t -54.65 -55.27 16.27 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 120.865 0.364 . . . . 0.0 110.687 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 967' ' ' VAL . 19.2 mtm180 -61.48 -33.03 73.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.084 -177.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -68.45 -43.57 77.32 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.018 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 973' ' ' SER . . . . . 0.584 ' HA ' ' HB1' ' A' ' 982' ' ' ALA . 36.8 t -66.63 -39.12 88.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.571 0.224 . . . . 0.0 111.019 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 19.0 mt-30 -59.6 -38.7 81.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.943 0.401 . . . . 0.0 110.583 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -76.24 -34.0 59.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.99 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -126.36 95.57 38.26 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.836 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.74 -21.75 69.68 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 C-N-CA 123.293 2.662 . . . . 0.0 113.469 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -149.44 83.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.095 0.474 . . . . 0.0 110.196 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 51.9 m -147.38 137.01 11.96 Favored Pre-proline 0 N--CA 1.444 -0.761 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.901 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.18 -47.39 27.01 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.102 2.535 . . . . 0.0 112.501 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 70.4 m -62.75 -35.1 78.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.715 0.293 . . . . 0.0 111.608 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . 0.584 ' HB1' ' HA ' ' A' ' 973' ' ' SER . . . -71.91 -48.81 42.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.119 0.485 . . . . 0.0 110.587 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . 0.434 ' HG2' HG11 ' A' ' 914' ' ' VAL . 76.9 mt-30 -66.17 -45.41 80.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.394 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.85 -39.54 89.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.116 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.48 95.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.79 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . 0.776 HD13 ' HB3' ' A' ' 917' ' ' LEU . 10.2 mt -72.03 -55.71 6.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.576 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . . . . . . . . . 82.6 mt -56.92 -50.74 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.489 -174.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.02 91.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.113 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -66.91 -44.01 81.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.659 -177.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.657 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.7 m -58.21 -50.55 73.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.113 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . 0.724 ' HA ' HD13 ' A' ' 994' ' ' LEU . 95.4 mt-30 -66.14 -33.58 76.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.029 0.443 . . . . 0.0 110.821 -178.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 64.9 m -70.79 -26.17 63.2 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.023 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.543 ' HE2' HD23 ' A' 1031 ' ' LEU . 74.4 t80 -82.15 -33.48 29.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.948 0.404 . . . . 0.0 110.38 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.724 HD13 ' HA ' ' A' ' 991' ' ' GLN . 79.2 mt -57.9 -40.11 79.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.921 -178.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.534 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 16.6 tp60 -64.49 -58.54 13.3 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.989 -174.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 54.0 Cg_endo -71.82 -31.75 12.46 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 121.836 1.691 . . . . 0.0 112.159 177.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.454 ' O ' HG22 ' A' 1001 ' ' VAL . . . -62.97 -44.45 97.37 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.817 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.17 -28.72 71.18 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.09 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -66.84 -39.22 87.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.456 0.17 . . . . 0.0 110.728 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 48.7 ttp -73.28 -33.49 65.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.012 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 997' ' ' GLY . 56.4 t -62.59 -48.86 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.981 174.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -64.02 -42.44 97.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.987 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.48 93.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.84 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' 1008 ' ' VAL . . . -60.55 -53.38 58.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.03 -29.69 71.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.968 0.414 . . . . 0.0 111.593 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -81.75 -21.84 37.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.397 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1007 ' ' SER . . . . . 0.419 ' O ' HG13 ' A' 1011 ' ' ILE . 50.6 m -86.56 -23.27 25.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.986 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' 1004 ' ' ALA . 85.8 t -50.81 -57.63 12.87 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1009 ' ' PRO . . . . . 0.473 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 54.8 Cg_endo -69.67 -20.81 34.8 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.95 1.767 . . . . 0.0 113.381 -176.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 29.3 p -84.86 -13.61 50.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.802 0.334 . . . . 0.0 111.749 -176.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1011 ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' 1007 ' ' SER . 90.7 mt -94.22 126.86 46.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.424 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -68.75 -41.19 79.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.995 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.25 108.66 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 110.41 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.542 ' O ' ' HG3' ' A' 1018 ' ' MET . 45.8 mt-30 -70.08 -26.18 63.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.383 -175.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -62.4 -49.13 76.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.649 0.261 . . . . 0.0 110.64 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 38.2 m -66.13 -35.69 81.16 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.364 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -63.46 -48.08 79.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1018 ' ' MET . . . . . 0.542 ' HG3' ' O ' ' A' 1014 ' ' GLN . 83.9 mtp -63.24 -34.88 78.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.009 0.433 . . . . 0.0 110.298 177.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1019 ' ' GLN . . . . . 0.488 ' HG3' ' HB3' ' A' ' 934' ' ' ALA . 50.7 tp60 -61.7 -46.04 91.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.133 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1020 ' ' LEU . . . . . 0.727 ' HA ' ' SG ' ' A' 1023 ' ' CYS . 26.2 mt -69.13 -40.86 78.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.246 177.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 32.3 t -56.71 -43.36 80.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1022 ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' A' 1025 ' ' LYS . 6.4 tp60 -67.89 -54.57 17.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.744 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1023 ' ' CYS . . . . . 0.727 ' SG ' ' HA ' ' A' 1020 ' ' LEU . 24.8 p -63.43 -42.09 98.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.608 0.242 . . . . 0.0 111.427 -174.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.54 86.55 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1025 ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' 1022 ' ' GLN . 14.4 ptmm? -72.57 -29.69 63.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.175 -179.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.17 -52.66 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.984 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 43.3 tp -61.13 -40.54 94.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.666 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.77 -50.55 66.2 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.534 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 6.4 m -69.81 -33.24 72.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.821 0.343 . . . . 0.0 110.762 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -62.03 -49.2 76.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.288 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1031 ' ' LEU . . . . . 0.543 HD23 ' HE2' ' A' ' 993' ' ' PHE . 95.3 mt -64.93 -32.17 73.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.737 178.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.2 -55.73 25.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.536 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -81.68 -20.93 38.52 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.323 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -45.3 68.51 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -64.07 -40.89 97.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.301 176.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1036 ' ' THR . . . . . 0.553 HG21 ' HE2' ' A' 1040 ' ' LYS . 61.8 m -66.0 -35.84 81.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.802 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.83 -53.1 52.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.019 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.12 80.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.171 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -62.97 -52.51 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.693 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1040 ' ' LYS . . . . . 0.553 ' HE2' HG21 ' A' 1036 ' ' THR . 58.1 mtmt -68.7 -20.84 64.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.76 0.314 . . . . 0.0 111.288 -177.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -83.26 -20.76 33.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.88 0.371 . . . . 0.0 110.833 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1042 ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' 1042 ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.198 -176.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.809 0.338 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 30.9 m -69.72 -25.8 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.591 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -56.22 -43.15 78.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.196 173.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -72.67 -39.88 66.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.79 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . 0.48 ' HG ' HD21 ' A' ' 986' ' ' LEU . 62.0 tp -55.51 -46.28 76.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.051 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -53.42 -53.29 53.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.18 0.514 . . . . 0.0 111.141 177.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -69.98 -33.07 71.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.068 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -69.37 -38.8 78.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.703 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -68.57 -38.99 81.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.865 0.364 . . . . 0.0 110.643 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -61.5 -50.72 71.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.941 177.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -66.98 -30.44 70.55 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.723 0.297 . . . . 0.0 110.567 -178.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.0 -49.42 61.68 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.124 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.68 84.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.39 177.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -61.79 -55.36 30.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.269 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 47.3 m -63.93 -35.12 79.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.407 -176.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . 0.501 ' HB1' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.83 -44.72 96.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.887 0.375 . . . . 0.0 110.213 176.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 28.4 m -61.15 -40.73 94.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.495 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -62.21 -38.6 89.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.755 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 19.0 m -71.83 -46.02 59.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.683 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.53 HG23 ' HB3' ' A' ' 956' ' ' CYS . 69.1 mt -59.34 -48.15 88.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 120.719 0.295 . . . . 0.0 111.641 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -57.88 -36.08 71.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.429 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -82.52 -44.44 15.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.691 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -62.31 -41.82 98.86 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -174.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -78.05 8.69 4.45 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 41.2 m80 . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -177.922 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . 0.813 HD11 ' HB1' ' A' 1003 ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.101 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . 0.691 ' HB3' ' HB1' ' A' ' 935' ' ' ALA . 12.6 mt -47.77 -57.58 5.41 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.672 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 43.8 t -53.88 -37.12 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.578 -176.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -70.98 -42.76 69.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.656 -179.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 22.7 m -64.89 -40.56 95.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.731 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . 0.53 ' HB3' HG23 ' A' ' 932' ' ' ILE . 73.4 m -56.2 -33.26 65.15 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 178.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 62.7 mttm -62.51 -50.0 73.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.45 178.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.25 80.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 963' ' ' ILE . 91.6 t -64.15 -42.23 94.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.243 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.93 -23.31 65.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.853 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 15.1 mm-40 -83.87 -20.16 33.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.755 0.312 . . . . 0.0 110.798 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . 0.405 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 14.3 mm100 -95.71 -24.55 16.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.581 -177.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 959' ' ' VAL . 74.0 mt -53.19 -55.76 30.83 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 18.5 Cg_endo -59.5 -33.76 97.12 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.905 1.736 . . . . 0.0 112.007 179.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.8 -37.87 89.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.789 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.63 ' O ' HG23 ' A' ' 970' ' ' VAL . 85.7 mt -56.64 -56.85 16.21 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.999 173.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.22 -36.37 75.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.375 -175.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 964' ' ' PRO . 78.4 mt-30 -58.91 -42.94 90.85 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.878 0.371 . . . . 0.0 110.044 173.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.3 -43.81 92.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.964 176.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 966' ' ' LEU . 39.5 t -56.85 -43.62 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.007 0.432 . . . . 0.0 110.14 177.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -57.03 -41.06 77.91 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.084 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.03 -46.55 93.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.438 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 16.0 t -69.03 -34.89 75.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.754 0.311 . . . . 0.0 110.637 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -63.99 -38.3 90.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.813 0.339 . . . . 0.0 110.469 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -72.17 -55.66 6.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.782 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -136.19 95.21 13.47 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -67.16 -21.87 47.89 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.29 1.993 . . . . 0.0 111.289 175.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.84 -14.36 59.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.739 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 979' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 983' ' ' GLN . 32.8 t -82.92 115.42 58.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 -175.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . 0.545 ' O ' ' HG ' ' A' ' 984' ' ' LEU . 18.0 Cg_exo -66.03 -34.74 36.86 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.411 2.074 . . . . 0.0 110.927 175.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 15.8 m -63.25 -41.99 99.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.708 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.6 91.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.498 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 979' ' ' SER . 53.9 mm-40 -66.03 -43.77 86.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.92 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 980' ' ' PRO . 93.7 mt -55.95 -38.94 71.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.866 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.59 80.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.674 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . 0.48 HD21 ' HG ' ' A' ' 917' ' ' LEU . 0.7 OUTLIER -63.84 -52.44 60.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.372 -179.292 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . . . . . . . . . 84.7 mt -58.09 -49.59 80.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.263 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -60.44 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.159 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.11 83.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.291 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.513 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 51.9 m -65.89 -45.67 81.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . 0.462 ' HA ' HD13 ' A' ' 994' ' ' LEU . 95.4 mt-30 -69.26 -37.41 77.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.882 0.373 . . . . 0.0 110.435 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 73.5 m -75.37 -5.87 47.05 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.272 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.501 ' HZ ' ' HB1' ' A' ' 928' ' ' ALA . 78.2 t80 -95.04 -31.6 13.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.072 0.463 . . . . 0.0 109.862 175.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 990' ' ' SER . 61.2 mt -59.34 -40.4 86.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.468 177.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.825 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 52.2 tt0 -54.66 -63.71 2.61 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.759 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . 0.825 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 12.2 Cg_exo -70.7 -33.65 12.69 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 121.897 1.732 . . . . 0.0 111.977 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.453 ' O ' HG22 ' A' 1001 ' ' VAL . . . -62.1 -49.43 75.07 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.463 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.22 -34.71 85.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.084 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.77 -37.6 86.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.817 0.341 . . . . 0.0 110.582 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 46.7 ttp -73.8 -33.14 64.09 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.233 -177.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 997' ' ' GLY . 58.1 t -62.56 -45.43 98.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.963 0.411 . . . . 0.0 110.03 175.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.1 88.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.604 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1003 ' ' ALA . . . . . 0.813 ' HB1' HD11 ' A' ' 951' ' ' LEU . . . -65.28 -41.73 93.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.822 177.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.623 ' O ' HG21 ' A' 1008 ' ' VAL . . . -60.71 -51.99 67.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.965 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.18 -32.1 66.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.656 -178.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -84.64 -21.87 30.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.675 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1007 ' ' SER . . . . . 0.476 ' O ' HG13 ' A' 1011 ' ' ILE . 14.4 t -90.67 -24.54 20.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.653 0.263 . . . . 0.0 110.893 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.623 HG21 ' O ' ' A' 1004 ' ' ALA . 84.6 t -55.03 -51.03 82.96 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1009 ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' 1008 ' ' VAL . 35.2 Cg_endo -65.36 -20.82 61.61 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.871 1.714 . . . . 0.0 112.954 -176.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 72.8 p -84.93 -14.66 46.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.124 0.488 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1011 ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' 1007 ' ' SER . 61.8 mt -81.88 116.08 25.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -86.83 -2.33 58.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.905 0.383 . . . . 0.0 110.974 -177.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.14 121.14 31.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.538 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1014 ' ' GLN . . . . . 0.481 ' O ' ' HG3' ' A' 1018 ' ' MET . 80.9 mm-40 -63.55 -59.27 4.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.634 -171.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -61.94 -39.07 90.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.736 0.303 . . . . 0.0 111.102 -176.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 19.1 m -62.8 -44.38 96.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.891 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.411 ' HB1' ' HB ' ' A' 1011 ' ' ILE . . . -70.35 -41.8 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.137 -179.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1018 ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' 1014 ' ' GLN . 92.5 mtp -61.83 -42.47 99.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.283 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -68.14 -38.5 82.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.549 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1020 ' ' LEU . . . . . 0.547 HD13 HD11 ' A' ' 952' ' ' LEU . 2.1 tm? -61.0 -44.84 96.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.866 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1021 ' ' SER . . . . . 0.443 ' HB2' HG22 ' A' 1008 ' ' VAL . 47.9 t -68.38 -33.97 75.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -63.25 -48.0 80.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.22 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 72.0 m -60.63 -41.83 95.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.829 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.0 97.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 177.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -62.95 -44.88 94.85 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.441 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.32 -47.09 80.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.64 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 60.8 tp -63.58 -44.28 94.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.16 -39.63 92.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.165 -0.54 . . . . 0.0 112.439 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.8 m -77.42 -36.44 53.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 110.783 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.29 92.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.257 176.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.43 -31.04 68.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.769 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.54 -57.07 12.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.77 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.68 -22.48 34.54 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.046 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.38 -43.58 98.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.297 0.57 . . . . 0.0 109.715 174.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 32.0 ttp-105 -59.4 -40.23 85.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.652 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 29.4 m -72.2 -45.7 59.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.009 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -59.32 -50.39 74.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.38 -35.83 80.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -67.28 -51.48 52.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -67.0 -31.38 71.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.898 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -68.91 -35.61 77.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.079 0.466 . . . . 0.0 110.262 175.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 63.5 tt0 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.972 177.92 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 913' ' ' LEU . . . . . 0.503 ' HA ' ' HD3' ' A' ' 916' ' ' ARG . 64.0 mt . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.613 0.244 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 914' ' ' VAL . . . . . 0.543 HG12 ' HG2' ' A' ' 983' ' ' GLN . 26.3 m -87.15 -26.55 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -67.7 -18.41 64.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.228 0.537 . . . . 0.0 110.581 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 916' ' ' ARG . . . . . 0.62 ' NH2' ' HA ' ' A' 1037 ' ' ALA . 20.6 mtp-105 -67.38 -34.15 76.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.691 173.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 917' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 914' ' ' VAL . 20.9 mt -70.09 -40.03 75.22 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.009 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 918' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 83.5 mt-10 -53.75 -48.9 69.24 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.523 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -61.16 -53.96 50.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.988 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.42 73.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.67 -175.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -63.65 -35.31 80.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -173.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 922' ' ' LYS . . . . . 0.429 ' CG ' HG12 ' A' ' 970' ' ' VAL . 55.4 mtmt -59.36 -54.32 48.13 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.708 0.289 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -80.5 -17.65 50.93 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.278 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.52 -48.89 63.18 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 172.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 925' ' ' ALA . . . . . 0.724 ' HB2' HG21 ' A' ' 963' ' ' ILE . . . -60.05 -37.6 80.31 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.663 176.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.42 -54.9 21.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.911 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 42.7 m -60.29 -34.71 74.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.139 -178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 928' ' ' ALA . . . . . 0.517 ' HB3' ' HZ ' ' A' ' 993' ' ' PHE . . . -62.25 -46.3 89.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.555 176.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 42.1 m -61.31 -36.16 79.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.538 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -68.02 -40.22 82.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.715 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 23.5 m -66.21 -39.41 89.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.496 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 932' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 928' ' ' ALA . 79.2 mt -63.83 -41.64 93.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.279 176.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -62.84 -39.48 94.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.669 177.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.41 89.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.657 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 935' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 952' ' ' LEU . . . -64.24 -43.42 94.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.26 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -76.06 -4.91 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 0.0 111.641 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 25.1 t60 . . . . . 0 C--N 1.323 -0.585 0 CA-C-O 121.571 0.701 . . . . 0.0 109.302 173.798 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.823 0.344 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 952' ' ' LEU . . . . . 0.602 HD21 ' HA ' ' A' 1004 ' ' ALA . 95.6 mt -50.63 -53.24 32.4 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.429 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 953' ' ' VAL . . . . . 0.652 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 48.0 t -54.24 -41.71 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.14 -176.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 954' ' ' GLN . . . . . 0.696 ' HA ' ' HE2' ' A' ' 957' ' ' LYS . 26.6 mm-40 -64.11 -52.58 58.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.884 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 955' ' ' SER . . . . . 0.413 ' O ' HG22 ' A' ' 959' ' ' VAL . 16.7 m -64.95 -41.08 95.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.176 -178.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 87.0 m -59.4 -38.12 79.76 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.606 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 957' ' ' LYS . . . . . 0.696 ' HE2' ' HA ' ' A' ' 954' ' ' GLN . 51.9 mtmt -56.68 -53.61 55.68 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 120.755 0.312 . . . . 0.0 110.193 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 958' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -61.76 -48.38 80.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.277 -178.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 959' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 963' ' ' ILE . 95.6 t -59.33 -43.3 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.195 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -63.03 -19.81 64.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.786 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 961' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 66.8 mt-10 -90.34 -22.75 21.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.012 0.434 . . . . 0.0 110.616 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 962' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 958' ' ' ALA . 16.3 mm100 -89.73 -25.85 20.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 963' ' ' ILE . . . . . 0.724 HG21 ' HB2' ' A' ' 925' ' ' ALA . 83.2 mt -55.17 -54.25 52.55 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.03 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 964' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 18.0 Cg_endo -59.04 -31.53 95.81 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.02 1.813 . . . . 0.0 112.159 177.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 70.7 mt -68.64 -39.1 80.9 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.816 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 966' ' ' LEU . . . . . 0.588 ' O ' HG21 ' A' ' 970' ' ' VAL . 66.9 mt -57.3 -59.54 4.96 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.087 0.47 . . . . 0.0 109.934 173.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.59 -34.19 60.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.099 -175.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 968' ' ' GLN . . . . . 0.779 HE21 ' HA ' ' A' ' 968' ' ' GLN . 0.0 OUTLIER -59.41 -43.45 93.0 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.056 0.455 . . . . 0.0 109.986 174.644 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -69.88 -43.49 65.88 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.033 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 970' ' ' VAL . . . . . 0.588 HG21 ' O ' ' A' ' 966' ' ' LEU . 58.2 t -58.11 -55.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.893 0.378 . . . . 0.0 111.057 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 971' ' ' ARG . . . . . 0.436 ' HA ' HE21 ' A' ' 974' ' ' GLN . 82.9 mtp180 -68.12 -23.66 64.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.705 -177.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -71.6 -44.37 49.72 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.704 174.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 27.8 t -66.29 -34.84 78.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 110.331 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 974' ' ' GLN . . . . . 0.436 HE21 ' HA ' ' A' ' 971' ' ' ARG . 49.0 mt-30 -65.85 -38.76 89.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.177 175.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -66.54 -49.57 66.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.812 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -129.72 89.49 46.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -76.4 -4.69 15.36 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.706 2.271 . . . . 0.0 112.441 178.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -99.0 -27.99 13.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.627 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 71.4 m -86.32 111.83 41.76 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.637 -173.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -61.62 -23.55 76.59 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.196 2.597 . . . . 0.0 112.43 -175.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 2.6 m -59.5 -41.82 90.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.227 178.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -67.55 -41.92 83.48 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.537 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 983' ' ' GLN . . . . . 0.543 ' HG2' HG12 ' A' ' 914' ' ' VAL . 2.3 mp0 -60.3 -52.38 65.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.324 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.87 -33.12 73.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.412 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.15 -32.23 73.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.976 0.417 . . . . 0.0 110.559 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 986' ' ' LEU . . . . . 0.423 HD21 ' HB3' ' A' ' 917' ' ' LEU . 2.3 tt -79.24 -47.79 15.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.529 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 987' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 983' ' ' GLN . 73.8 mt -57.48 -50.59 76.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.28 -177.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.74 92.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.028 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.01 94.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 990' ' ' SER . . . . . 0.544 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 37.1 m -61.92 -46.62 88.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.697 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 991' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -59.08 -43.5 91.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.237 0.541 . . . . 0.0 110.534 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 16.6 t -80.34 1.44 28.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.893 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 993' ' ' PHE . . . . . 0.517 ' HZ ' ' HB3' ' A' ' 928' ' ' ALA . 81.8 t80 -102.91 -31.37 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.108 0.48 . . . . 0.0 109.804 175.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 994' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 990' ' ' SER . 72.0 mt -58.39 -42.32 86.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.529 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 995' ' ' GLN . . . . . 0.588 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 7.8 tt0 -58.04 -64.45 2.74 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.926 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 996' ' ' PRO . . . . . 0.588 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 55.5 Cg_endo -69.93 -30.81 20.89 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 121.677 1.585 . . . . 0.0 112.179 -179.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 997' ' ' GLY . . . . . 0.486 ' O ' HG22 ' A' 1001 ' ' VAL . . . -65.22 -53.02 35.56 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.093 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.99 90.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.808 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -65.91 -38.31 88.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.714 -0.243 . . . . 0.0 111.076 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 51.7 ttp -72.75 -31.5 64.97 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.355 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1001 ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 997' ' ' GLY . 93.4 t -61.13 -48.64 88.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 173.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -63.87 -44.87 91.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.701 178.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.94 95.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.954 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1004 ' ' ALA . . . . . 0.602 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -60.31 -48.05 83.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.535 177.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 63.7 mttm -60.12 -40.57 90.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.231 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -72.69 -17.91 61.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.533 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1007 ' ' SER . . . . . 0.442 ' O ' HG13 ' A' 1011 ' ' ILE . 46.2 m -87.41 -28.25 22.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.986 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1008 ' ' VAL . . . . . 0.66 HG11 ' HB1' ' A' 1017 ' ' ALA . 98.9 t -51.47 -53.01 54.45 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -177.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1009 ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' 1008 ' ' VAL . 41.7 Cg_endo -68.1 -24.51 38.6 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.806 1.671 . . . . 0.0 112.847 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 63.0 p -87.04 7.49 27.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.155 0.502 . . . . 0.0 111.21 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1011 ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' 1007 ' ' SER . 86.6 mt -119.26 129.28 75.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.868 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -87.33 -16.07 36.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.046 0.45 . . . . 0.0 110.714 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 12.5 t70 -80.7 114.54 19.66 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -14.11 58.3 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.771 -173.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -73.04 -49.41 28.85 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 44.0 m -67.14 -36.6 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.25 175.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1017 ' ' ALA . . . . . 0.66 ' HB1' HG11 ' A' 1008 ' ' VAL . . . -62.84 -47.56 82.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.337 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1018 ' ' MET . . . . . 0.837 ' HA ' ' HE1' ' A' 1018 ' ' MET . 21.2 mmt -71.17 -34.96 71.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.834 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -61.75 -43.47 98.78 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1020 ' ' LEU . . . . . 0.416 HD22 ' HB3' ' A' 1004 ' ' ALA . 17.6 mt -59.93 -50.45 73.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.23 175.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 41.7 t -57.13 -42.14 80.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.123 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -69.53 -45.11 69.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.823 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 77.8 m -65.67 -46.39 79.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.963 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1024 ' ' ALA . . . . . 0.408 ' HB2' HG11 ' A' 1001 ' ' VAL . . . -60.06 -35.23 74.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.745 0.307 . . . . 0.0 111.098 178.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -65.38 -47.38 76.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 110.458 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -66.5 -46.37 76.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.04 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.69 -42.39 97.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.435 177.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.95 -45.95 94.38 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.342 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 8.9 m -70.27 -34.2 72.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.065 0.46 . . . . 0.0 110.504 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.1 -45.37 95.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.277 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.66 -32.72 72.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.62 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.65 -49.5 77.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.047 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.99 -29.77 49.84 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.76 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 54.1 tp -65.38 -46.0 81.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.541 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -63.1 -47.06 84.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 11.1 m -61.81 -35.82 79.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.153 0.501 . . . . 0.0 110.495 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1037 ' ' ALA . . . . . 0.62 ' HA ' ' NH2' ' A' ' 916' ' ' ARG . . . -67.87 -51.24 50.45 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.56 177.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.8 90.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.264 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -56.29 -60.69 3.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.695 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1040 ' ' LYS . . . . . 0.478 ' O ' HD12 ' A' ' 913' ' ' LEU . 56.3 mtmt -80.82 13.75 2.5 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.633 -176.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -113.15 -7.27 13.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.109 0.481 . . . . 0.0 109.951 172.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.484 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 49.0 mm -97.87 102.64 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.987 0.422 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -109.43 108.0 59.76 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 173.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . 0.507 ' HG2' HG22 ' A' ' 912' ' ' THR . 94.1 Cg_endo -82.64 -160.66 0.13 Allowed 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 123.266 2.644 . . . . 0.0 112.554 -175.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -77.45 -44.57 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.172 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 912' ' ' THR . . . . . 0.507 HG22 ' HG2' ' A' ' 910' ' ' PRO . 47.4 p 58.83 131.57 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 176.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.461 HD13 ' HA ' ' A' 1041 ' ' ALA . 60.1 mt 68.61 -54.53 0.54 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.439 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . 0.502 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 29.2 m -72.71 -22.28 20.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.83 -51.14 66.8 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.379 177.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . 0.41 ' HG3' ' HB1' ' A' 1037 ' ' ALA . 11.7 ptp180 -73.59 -30.52 63.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.609 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . 0.446 HD21 ' HA ' ' A' 1038 ' ' ALA . 21.2 mt -61.09 -52.82 63.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.777 176.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 37.7 mt-10 -51.22 -54.38 26.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.231 0.539 . . . . 0.0 110.7 178.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -65.52 -44.81 85.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.102 -174.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.39 77.22 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.366 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -68.22 -36.25 79.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.352 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 94.0 mttt -61.71 -52.15 65.46 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.834 0.35 . . . . 0.0 110.489 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . 0.518 HE21 ' HA ' ' A' 1030 ' ' ALA . 12.4 pt20 -70.31 -27.39 64.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.666 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . 0.481 ' HA ' ' HB1' ' A' 1030 ' ' ALA . . . -67.26 -49.84 62.81 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . 0.509 ' HB3' HG22 ' A' ' 963' ' ' ILE . . . -58.39 -42.46 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.73 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.24 -52.76 60.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.284 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 47.0 m -66.64 -34.51 78.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.363 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . 0.522 ' HB3' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.55 -49.08 78.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.714 0.292 . . . . 0.0 110.847 178.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 45.5 m -56.37 -42.84 78.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.885 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -65.51 -42.25 92.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.054 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 931' ' ' THR . . . . . 0.403 ' HA ' ' HB3' ' A' 1023 ' ' CYS . 25.3 m -64.09 -42.77 96.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.687 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.598 ' O ' ' HG2' ' A' ' 936' ' ' GLN . 89.9 mt -59.27 -47.73 89.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 937' ' ' HIS . . . -61.51 -27.61 68.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.763 -177.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -87.71 -41.94 12.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.32 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' A' ' 952' ' ' LEU . . . -61.1 -51.58 68.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.815 -175.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . 0.598 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 13.8 pt20 -85.85 6.95 25.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.517 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' A' ' 933' ' ' ALA . 26.7 t60 -77.26 -28.11 53.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 109.936 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -127.35 -52.07 1.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.272 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . 67.17 117.77 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.569 0.7 . . . . 0.0 111.514 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.417 ' OG ' ' HB3' ' A' 1007 ' ' SER . 6.5 m -84.18 40.07 0.75 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.468 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -98.48 123.78 48.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.037 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.73 152.66 79.5 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.782 2.321 . . . . 0.0 112.082 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -89.74 -17.37 28.39 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -105.15 102.82 12.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.222 -0.299 . . . . 0.0 111.018 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 42.0 p 179.98 -175.86 0.31 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.31 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -107.45 2.17 24.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.751 0.31 . . . . 0.0 111.028 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 164.39 82.25 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -97.46 30.11 0.16 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 123.581 2.854 . . . . 0.0 113.213 -176.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -49.48 112.08 2.37 Favored Pre-proline 0 N--CA 1.466 0.364 0 O-C-N 123.48 0.487 . . . . 0.0 111.318 -174.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.57 132.0 31.63 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.802 2.334 . . . . 0.0 112.367 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.624 HD12 ' HB1' ' A' 1003 ' ' ALA . 1.8 tm? -60.94 -30.91 70.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.383 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' 1004 ' ' ALA . 62.8 mt -50.5 -64.81 0.69 Allowed 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.191 173.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 98.6 t -60.6 -36.79 72.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.6 -174.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -63.29 -38.4 91.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.197 0.523 . . . . 0.0 110.544 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 955' ' ' SER . . . . . 0.509 ' HG ' HD13 ' A' ' 951' ' ' LEU . 36.5 m -81.2 -32.62 33.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.718 178.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . 0.523 ' HB3' HG23 ' A' ' 932' ' ' ILE . 93.4 m -56.01 -47.24 78.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.191 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -66.4 -35.45 80.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.404 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -67.11 -52.38 42.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.065 0.459 . . . . 0.0 110.448 177.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 963' ' ' ILE . 71.6 t -59.83 -41.33 85.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.26 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -56.02 -33.92 65.36 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -86.69 -14.34 42.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.676 0.274 . . . . 0.0 111.441 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 958' ' ' ALA . 29.7 mm-40 -90.73 -25.83 19.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.815 0.341 . . . . 0.0 110.498 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.673 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 91.3 mt -53.37 -53.57 54.95 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.138 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . 0.673 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 49.2 Cg_exo -57.36 -34.42 97.88 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.042 1.828 . . . . 0.0 112.252 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.24 -42.05 96.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.633 ' O ' HG21 ' A' ' 970' ' ' VAL . 91.1 mt -56.49 -56.98 14.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.81 175.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 44.0 t -61.97 -36.29 73.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.237 -176.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -61.57 -44.76 96.43 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -63.71 -43.6 97.57 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.738 175.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.633 HG21 ' O ' ' A' ' 966' ' ' LEU . 70.1 t -56.23 -55.24 19.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.729 0.299 . . . . 0.0 110.643 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 971' ' ' ARG . 20.2 mtm180 -61.24 -34.18 74.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -65.32 -42.12 96.28 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.797 -0.715 . . . . 0.0 111.652 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 973' ' ' SER . . . . . 0.523 ' HB2' HD11 ' A' ' 986' ' ' LEU . 28.9 t -67.99 -36.6 80.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.694 0.283 . . . . 0.0 110.719 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.543 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 24.5 mt-30 -61.32 -40.45 94.24 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.278 0.561 . . . . 0.0 110.306 177.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -77.39 -47.32 20.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.877 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -129.46 81.6 69.58 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.51 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -71.88 -18.16 28.33 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.69 2.26 . . . . 0.0 111.657 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -104.76 22.83 14.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.695 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 29.0 t -112.21 115.38 50.12 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.448 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.16 -26.26 82.08 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.645 2.23 . . . . 0.0 111.661 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 14.5 m -66.13 -47.01 75.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.22 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -73.0 -38.94 66.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.572 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . 0.481 ' O ' HG13 ' A' ' 987' ' ' ILE . 54.0 mt-30 -57.26 -61.17 2.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.142 177.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . 0.402 HD11 ' HA ' ' A' ' 984' ' ' LEU . 4.3 mm? -61.46 -32.06 72.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.3 -177.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -61.22 -49.93 75.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 110.519 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 973' ' ' SER . 1.2 tt -64.0 -46.45 84.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.848 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 983' ' ' GLN . 79.2 mt -58.83 -45.65 91.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.079 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -66.96 -45.36 77.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.873 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.14 89.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.575 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 50.6 m -59.33 -50.65 73.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.751 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . 0.714 ' HA ' HD11 ' A' ' 994' ' ' LEU . 48.4 mt-30 -67.96 -31.56 71.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.984 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 33.7 t -69.7 -32.19 70.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.354 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.522 ' HZ ' ' HB3' ' A' ' 928' ' ' ALA . 83.1 t80 -75.77 -35.57 60.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.804 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.714 HD11 ' HA ' ' A' ' 991' ' ' GLN . 70.4 mt -58.53 -38.39 77.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.592 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.652 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 46.5 tt0 -58.26 -60.43 10.2 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.11 -174.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . 0.652 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 77.7 Cg_endo -78.32 -27.63 5.23 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.845 1.697 . . . . 0.0 112.233 177.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.437 ' O ' HG22 ' A' 1001 ' ' VAL . . . -64.29 -47.0 89.22 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.147 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.69 -33.72 86.1 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.056 -0.593 . . . . 0.0 112.005 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.6 -42.59 98.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.735 0.302 . . . . 0.0 110.612 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 45.8 ttp -69.7 -32.56 71.22 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.09 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 997' ' ' GLY . 65.5 t -65.33 -50.25 74.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.982 0.42 . . . . 0.0 110.152 175.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.764 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1003 ' ' ALA . . . . . 0.624 ' HB1' HD12 ' A' ' 951' ' ' LEU . . . -65.23 -44.54 87.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.877 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.618 ' HA ' HD23 ' A' ' 952' ' ' LEU . . . -55.94 -52.59 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.801 -177.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 68.9 mttm -58.22 -33.02 68.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.555 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -87.79 -15.81 35.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.426 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1007 ' ' SER . . . . . 0.618 ' O ' HG13 ' A' 1011 ' ' ILE . 51.0 m -93.41 -21.16 19.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.062 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.581 HG21 ' O ' ' A' 1004 ' ' ALA . 72.6 t -52.39 -53.84 48.67 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.17 -11.37 30.18 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.784 1.656 . . . . 0.0 112.743 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 44.9 p -105.24 5.02 31.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.95 0.405 . . . . 0.0 111.22 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.618 HG13 ' O ' ' A' 1007 ' ' SER . 60.9 mt -85.67 128.98 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -76.07 -36.24 59.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.666 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.86 115.13 18.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.0 0.429 . . . . 0.0 110.526 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.48 -39.61 91.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.511 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.86 -50.15 75.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 22.6 m -62.89 -41.69 99.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.097 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -58.88 -53.7 55.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.973 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 90.0 mmm -65.05 -36.67 85.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -65.82 -47.05 76.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.244 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.95 -38.04 84.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.627 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 37.5 m -56.6 -48.77 76.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -69.39 -41.29 76.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.677 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1023 ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 931' ' ' THR . 83.3 m -61.78 -49.62 75.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.338 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.4 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.82 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -68.32 -35.46 77.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.273 0.559 . . . . 0.0 110.103 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -73.02 -48.56 35.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.18 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1027 ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' 1031 ' ' LEU . 48.9 tp -61.75 -42.42 98.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -178.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.59 -41.59 97.37 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.362 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 23.7 m -74.68 -33.86 62.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.113 0.483 . . . . 0.0 110.371 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1030 ' ' ALA . . . . . 0.518 ' HA ' HE21 ' A' ' 923' ' ' GLN . . . -61.96 -43.8 98.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.159 175.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1031 ' ' LEU . . . . . 0.626 HD21 HD22 ' A' ' 994' ' ' LEU . 88.1 mt -66.54 -35.91 81.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.408 176.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.48 -42.42 78.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.148 0.499 . . . . 0.0 110.6 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -69.33 -57.16 5.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.474 175.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1034 ' ' LEU . . . . . 0.444 ' HG ' ' HB3' ' A' ' 990' ' ' SER . 28.8 tp -57.25 -45.48 83.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.184 -173.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1035 ' ' ARG . . . . . 0.447 ' HA ' HD13 ' A' ' 994' ' ' LEU . 48.1 ttt180 -60.76 -41.43 95.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.03 0.443 . . . . 0.0 110.904 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1036 ' ' THR . . . . . 0.513 HG23 ' HE2' ' A' 1040 ' ' LYS . 13.7 m -77.16 -32.22 56.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.28 0.562 . . . . 0.0 110.246 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1037 ' ' ALA . . . . . 0.41 ' HB1' ' HG3' ' A' ' 916' ' ' ARG . . . -64.13 -53.08 55.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.132 -179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1038 ' ' ALA . . . . . 0.446 ' HA ' HD21 ' A' ' 917' ' ' LEU . . . -65.61 -31.63 72.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.693 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.84 -50.07 75.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.289 177.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1040 ' ' LYS . . . . . 0.513 ' HE2' HG23 ' A' 1036 ' ' THR . 68.7 mttm -67.81 -33.17 74.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.247 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1041 ' ' ALA . . . . . 0.461 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -77.32 -22.86 51.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.705 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -88.96 -61.84 1.62 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.319 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -90.73 -21.8 21.41 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 -176.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.216 0 O-C-N 123.523 0.514 . . . . 0.0 111.8 -178.86 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' ' 908' ' ' ILE . 16.8 mt 61.9 31.45 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 122.045 0.926 . . . . 0.0 109.755 -177.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -174.75 89.22 0.32 Allowed Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.343 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -78.95 4.48 6.47 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.968 2.446 . . . . 0.0 113.435 -172.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -120.19 147.33 45.06 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.572 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 912' ' ' THR . . . . . 0.5 ' OG1' HG23 ' A' ' 914' ' ' VAL . 0.1 OUTLIER -66.2 157.89 30.24 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 173.675 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 5.5 mp -76.87 -11.57 59.84 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.967 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . 0.549 HG22 ' HB2' ' A' ' 983' ' ' GLN . 25.3 m -80.88 -8.11 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.257 175.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.95 -35.89 82.17 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 174.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -63.81 -40.74 97.36 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.713 173.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . 0.727 ' HB3' HD23 ' A' ' 986' ' ' LEU . 47.1 mt -61.13 -42.32 98.32 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.217 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 70.4 mt-10 -53.71 -49.73 67.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.04 0.448 . . . . 0.0 110.583 176.291 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -68.56 -45.95 70.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.734 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -67.51 -39.31 85.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.63 -177.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.76 83.17 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.381 -0.128 . . . . 0.0 111.195 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 97.8 mttt -62.83 -48.03 80.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.682 0.277 . . . . 0.0 110.641 177.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -71.29 -34.53 70.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.752 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -64.65 -46.65 81.61 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . 0.664 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -58.17 -44.1 87.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.298 176.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.59 -57.77 9.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.241 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 62.5 m -57.67 -36.64 72.2 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.407 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . 0.536 ' O ' HG13 ' A' ' 932' ' ' ILE . . . -60.24 -43.54 95.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.167 175.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 28.2 m -60.4 -49.35 77.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.756 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -58.88 -37.45 76.58 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.714 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 931' ' ' THR . . . . . 0.752 ' HB ' ' HE1' ' A' 1000 ' ' MET . 13.9 m -68.48 -42.64 78.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.797 0.332 . . . . 0.0 110.332 178.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 928' ' ' ALA . 77.4 mt -62.38 -41.58 92.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.04 0.448 . . . . 0.0 110.186 177.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -61.39 -47.53 85.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.713 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.29 90.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.14 84.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.097 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -76.15 -36.14 58.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -69.27 -37.88 78.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . 0.46 ' HB3' HD12 ' A' 1011 ' ' ILE . . . -77.96 -26.54 48.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.196 175.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . 63.21 93.51 0.05 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.512 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 950' ' ' PRO . 19.5 m -86.24 86.2 7.34 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.795 179.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -116.84 144.53 33.6 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.628 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . 0.687 ' HB3' ' HG2' ' A' ' 948' ' ' PRO . 52.6 Cg_exo -55.63 152.27 34.94 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.742 2.294 . . . . 0.0 111.914 177.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -80.36 7.45 9.61 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.994 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -126.32 165.14 19.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.592 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 70.2 m -68.99 -30.31 68.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.737 0.303 . . . . 0.0 111.161 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -153.39 172.58 16.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.295 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 115.03 -100.14 0.96 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.27 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.687 ' HG2' ' HB3' ' A' ' 942' ' ' PRO . 29.8 Cg_endo -63.14 157.8 47.47 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.734 2.289 . . . . 0.0 112.531 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -102.15 147.0 33.31 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.037 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . 0.46 ' HB3' ' O ' ' A' ' 940' ' ' SER . 51.8 Cg_exo -53.79 -33.19 69.71 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.186 2.59 . . . . 0.0 112.721 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 1.4 tm? 74.26 -55.99 0.65 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.667 0.787 . . . . 0.0 110.83 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . 0.538 ' HA ' ' HB1' ' A' 1003 ' ' ALA . 1.6 tt -61.8 -45.99 91.47 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 177.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . 0.738 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 66.8 t -60.67 -38.08 77.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.918 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -60.95 -39.96 91.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.302 0.573 . . . . 0.0 110.018 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 15.9 m -76.88 -43.04 37.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.259 -177.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . 0.738 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 32.1 p -65.57 -37.8 87.73 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 121.303 -0.159 . . . . 0.0 111.069 -176.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -63.31 -37.14 86.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.688 0.28 . . . . 0.0 110.636 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . 0.454 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -68.25 -41.08 81.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.961 0.41 . . . . 0.0 110.449 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' ' 963' ' ' ILE . 81.3 t -66.81 -40.13 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.925 178.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -59.8 -25.44 64.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.636 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -84.58 -22.08 30.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.826 0.346 . . . . 0.0 110.786 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . 0.561 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 11.8 mm100 -85.71 -25.58 26.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.743 -178.437 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.682 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 78.9 mt -54.04 -53.24 60.69 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.839 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . 0.682 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 36.6 Cg_exo -59.08 -33.19 98.46 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.0 1.8 . . . . 0.0 112.114 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.62 -37.55 85.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.883 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.615 ' O ' HG22 ' A' ' 970' ' ' VAL . 72.6 mt -59.07 -58.67 7.61 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.965 173.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 38.3 t -62.17 -34.13 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.079 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -58.58 -45.46 89.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.93 -41.73 93.17 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.029 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.615 HG22 ' O ' ' A' ' 966' ' ' LEU . 46.3 t -56.55 -51.14 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 121.063 0.459 . . . . 0.0 110.196 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -64.4 -28.22 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.971 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -66.92 -42.87 92.54 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.689 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 32.7 t -68.02 -36.07 79.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.086 0.469 . . . . 0.0 109.897 176.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 51.2 mt-30 -70.97 -21.71 62.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 177.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -69.64 -60.27 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.134 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -140.2 91.75 9.84 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.952 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.86 -13.5 36.93 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.657 2.238 . . . . 0.0 111.364 176.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -81.71 -5.6 58.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.396 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 30.6 t -108.56 109.33 61.41 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.665 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . 0.534 ' HA ' ' HG2' ' A' ' 983' ' ' GLN . 21.6 Cg_exo -65.64 -21.29 59.34 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.591 2.194 . . . . 0.0 111.223 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 14.6 m -73.84 -34.15 64.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.205 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -76.42 -45.72 30.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.027 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . 0.549 ' HB2' HG22 ' A' ' 914' ' ' VAL . 11.5 pt20 -65.5 -25.4 67.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.698 -177.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . 0.694 HD22 HD13 ' A' ' 987' ' ' ILE . 0.2 OUTLIER -57.51 -33.6 68.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.501 178.092 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -65.54 -24.26 67.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.037 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . 0.727 HD23 ' HB3' ' A' ' 917' ' ' LEU . 1.2 tt -81.35 -43.67 18.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . 0.694 HD13 HD22 ' A' ' 984' ' ' LEU . 62.8 mt -57.88 -50.66 77.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.614 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.08 97.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.788 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.83 95.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.23 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.607 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 37.1 m -58.81 -49.97 75.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.997 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . 0.623 ' HA ' HD13 ' A' ' 994' ' ' LEU . 77.3 mt-30 -67.31 -37.85 84.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.056 0.455 . . . . 0.0 110.682 -178.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 22.7 t -71.41 -16.24 62.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.786 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.403 ' HZ ' ' HB1' ' A' ' 928' ' ' ALA . 86.6 t80 -90.04 -32.6 16.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.345 177.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.623 HD13 ' HA ' ' A' ' 991' ' ' GLN . 79.0 mt -56.09 -42.95 77.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.244 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.858 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 48.5 tp60 -59.38 -60.79 9.41 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.906 -175.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . 0.858 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 10.3 Cg_exo -72.23 -32.3 10.71 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.91 1.74 . . . . 0.0 112.016 178.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.416 ' O ' HG21 ' A' 1001 ' ' VAL . . . -62.09 -48.59 82.11 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.246 -178.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.06 -33.71 86.6 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.986 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -67.2 -32.62 73.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.535 0.207 . . . . 0.0 111.095 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1000 ' ' MET . . . . . 0.752 ' HE1' ' HB ' ' A' ' 931' ' ' THR . 8.4 tmm? -78.41 -33.44 48.66 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.416 HG21 ' O ' ' A' ' 997' ' ' GLY . 98.7 t -57.62 -48.32 83.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.761 172.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.05 -45.99 83.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.828 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1003 ' ' ALA . . . . . 0.538 ' HB1' ' HA ' ' A' ' 952' ' ' LEU . . . -58.47 -41.92 86.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.17 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.53 ' O ' HG22 ' A' 1008 ' ' VAL . . . -59.47 -53.67 55.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.795 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.39 -38.13 82.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.598 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -71.98 -24.8 61.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.494 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 41.0 m -86.91 -21.57 26.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.083 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.53 HG22 ' O ' ' A' 1004 ' ' ALA . 94.8 t -50.48 -56.67 16.92 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1009 ' ' PRO . . . . . 0.408 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 43.1 Cg_endo -68.4 -20.82 41.64 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.922 1.748 . . . . 0.0 113.185 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 47.2 p -87.12 -11.88 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.357 . . . . 0.0 111.674 -177.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.46 HD12 ' HB3' ' A' ' 938' ' ' ALA . 84.3 mt -94.58 137.15 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -83.85 -27.86 28.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.36 -174.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 12.6 t70 -75.84 94.23 3.3 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -66.75 -28.98 68.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.621 -172.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -62.29 -51.32 68.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.975 0.417 . . . . 0.0 110.49 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 16.5 m -72.09 -32.32 66.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.675 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.422 ' HB2' HG11 ' A' 1008 ' ' VAL . . . -62.55 -47.79 82.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 94.5 mmm -67.7 -22.49 65.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 111.013 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -66.48 -36.53 82.97 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 20.1 mt -64.85 -45.25 86.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.753 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -38.19 69.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.076 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -73.55 -49.49 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 83.2 m -61.56 -43.14 99.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.29 -31.57 71.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.121 178.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -68.96 -49.03 61.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -61.93 -44.58 96.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.654 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1027 ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' 1031 ' ' LEU . 54.7 tp -63.98 -39.68 94.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.442 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.67 98.49 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.3 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 22.4 m -71.59 -33.65 69.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.044 0.45 . . . . 0.0 110.375 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.21 -49.56 76.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.022 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1031 ' ' LEU . . . . . 0.496 HD23 HD23 ' A' ' 994' ' ' LEU . 95.6 mt -62.51 -34.23 76.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.797 177.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.58 -55.15 37.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.4 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.14 -27.46 48.19 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.901 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.01 -46.65 89.91 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -65.67 -36.02 82.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.735 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 41.1 m -67.32 -48.87 66.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.1 85.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.18 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1038 ' ' ALA . . . . . 0.439 ' HA ' HD13 ' A' ' 917' ' ' LEU . . . -59.47 -39.26 83.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.283 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1039 ' ' GLN . . . . . 0.407 ' O ' ' HG3' ' A' 1043 ' ' GLU . 53.4 tt0 -59.96 -52.56 64.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 -178.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -72.98 -33.74 66.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.128 -177.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1041 ' ' ALA . . . . . 0.435 ' HB3' HG13 ' A' ' 914' ' ' VAL . . . -68.72 -29.74 68.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.149 0.499 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1042 ' ' GLN . . . . . 0.601 ' HA ' HD11 ' A' ' 987' ' ' ILE . 63.4 tt0 -70.66 -16.77 62.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.772 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1043 ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' 1039 ' ' GLN . 40.2 mt-10 -90.65 -16.22 29.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.666 -178.111 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.872 0 N-CA-C 111.855 -0.498 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 41.5 mt 52.97 75.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.496 0.665 . . . . 0.0 110.107 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -150.03 155.85 37.75 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.134 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.62 14.27 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.922 2.415 . . . . 0.0 113.904 -176.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . 0.789 ' HD1' HG23 ' A' ' 912' ' ' THR . 7.6 p90 -135.93 -165.0 1.63 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.869 -178.087 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 912' ' ' THR . . . . . 0.789 HG23 ' HD1' ' A' ' 911' ' ' PHE . 71.4 p 68.08 174.08 0.27 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.911 1.285 . . . . 0.0 112.83 177.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.423 ' HB2' ' O ' ' A' ' 912' ' ' THR . 79.9 mt 71.54 -55.31 0.66 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.587 -170.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . 0.467 HG13 ' HG3' ' A' ' 983' ' ' GLN . 32.8 m -79.75 -27.76 12.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.465 175.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . 0.421 ' O ' ' HD2' ' A' ' 919' ' ' HIS . 6.4 tp-100 -63.85 -46.99 82.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.745 176.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -63.57 -43.75 96.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.773 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . 0.601 ' HG ' HD22 ' A' ' 986' ' ' LEU . 25.4 tp -58.19 -45.6 87.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.942 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -53.12 -57.77 9.3 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.998 0.427 . . . . 0.0 111.169 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . 0.421 ' HD2' ' O ' ' A' ' 915' ' ' GLN . 67.7 m-70 -65.57 -41.28 93.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.181 -175.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . 0.769 ' HA ' HE21 ' A' ' 923' ' ' GLN . . . -62.58 -45.1 94.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.153 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.17 84.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.28 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . 0.415 ' HG3' HG12 ' A' ' 970' ' ' VAL . 53.2 mtmt -65.38 -40.09 93.06 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . 0.769 HE21 ' HA ' ' A' ' 920' ' ' ALA . 30.3 pt20 -74.32 -30.67 62.15 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.331 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -67.02 -47.23 72.08 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . 0.584 ' HB2' HD23 ' A' ' 966' ' ' LEU . . . -59.68 -41.19 90.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.591 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 930' ' ' GLN . . . -65.27 -51.51 60.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.979 178.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 26.3 t -61.03 -37.22 81.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.486 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . 0.456 ' O ' HG13 ' A' ' 932' ' ' ILE . . . -60.82 -45.22 95.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.081 175.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 52.8 m -59.35 -43.52 92.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.525 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . 0.428 ' HG2' ' O ' ' A' ' 926' ' ' ALA . 15.9 mm100 -62.2 -39.84 94.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.572 177.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 931' ' ' THR . . . . . 0.715 ' HB ' ' HE3' ' A' 1000 ' ' MET . 15.9 m -69.03 -40.38 78.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.583 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.457 ' O ' ' HG3' ' A' ' 936' ' ' GLN . 70.3 mt -61.03 -50.58 79.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.36 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -58.73 -43.07 90.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.76 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.62 95.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.596 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.92 97.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.145 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 97.2 mt-30 -62.33 -41.06 98.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.956 0.408 . . . . 0.0 110.93 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -81.44 -9.74 59.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . 0.559 ' HB2' HD13 ' A' 1011 ' ' ILE . . . -102.68 14.05 32.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.024 0.44 . . . . 0.0 110.618 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -76.92 39.95 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.608 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 5.6 p -94.2 5.96 50.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.126 0.488 . . . . 0.0 110.484 178.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . 0.688 ' HB3' ' HA ' ' A' 1011 ' ' ILE . . . -82.41 154.69 69.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.965 177.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . 0.756 ' HG2' ' HB3' ' A' ' 945' ' ' SER . 19.2 Cg_endo -61.25 147.29 95.98 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.165 1.91 . . . . 0.0 111.613 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . 0.642 ' HD3' ' H ' ' A' ' 943' ' ' LYS . 0.0 OUTLIER -65.32 -16.12 63.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.989 -179.285 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -117.65 80.86 1.57 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.111 0.481 . . . . 0.0 109.714 172.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 945' ' ' SER . . . . . 0.756 ' HB3' ' HG2' ' A' ' 942' ' ' PRO . 8.0 p -126.51 103.51 7.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.27 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . 64.84 15.17 9.7 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.857 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 154.42 162.73 11.37 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.649 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -73.75 112.87 3.64 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.959 2.439 . . . . 0.0 111.937 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 73.71 118.24 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.282 0 O-C-N 124.122 0.889 . . . . 0.0 110.722 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -48.03 131.01 20.95 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.25 2.633 . . . . 0.0 112.379 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 10.0 mt -73.36 -8.85 57.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' 1004 ' ' ALA . 58.9 mt -57.83 -46.1 85.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.814 171.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.62 -50.6 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.106 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.14 -47.04 86.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.024 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 955' ' ' SER . . . . . 0.465 ' O ' HG22 ' A' ' 959' ' ' VAL . 17.5 m -65.85 -49.79 66.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.9 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 88.4 m -59.51 -37.78 79.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.717 0.294 . . . . 0.0 111.25 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -62.8 -47.32 83.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.641 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -66.23 -41.64 89.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.196 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 963' ' ' ILE . 87.7 t -65.16 -41.56 92.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.718 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.97 -21.37 63.44 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.577 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.5 -31.27 21.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . 0.699 ' HG3' ' HG3' ' A' ' 996' ' ' PRO . 15.9 mm-40 -87.1 -28.36 22.56 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -176.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.662 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 72.6 mt -52.23 -53.94 47.07 Favored Pre-proline 0 N--CA 1.468 0.439 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . 0.662 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 51.5 Cg_exo -55.25 -42.03 72.61 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.172 1.915 . . . . 0.0 112.37 178.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 91.8 mt -69.69 -35.55 75.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.014 0.435 . . . . 0.0 110.293 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.584 HD23 ' HB2' ' A' ' 925' ' ' ALA . 51.2 tp -63.67 -51.77 63.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.096 175.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.18 -39.35 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.051 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -62.19 -38.68 90.03 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 174.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -61.08 -49.15 81.54 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.626 174.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.586 ' HA ' ' HG ' ' A' ' 986' ' ' LEU . 48.8 t -55.07 -55.03 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.007 0.432 . . . . 0.0 110.766 178.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -67.31 -27.78 67.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.182 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -66.56 -40.01 94.07 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.761 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 973' ' ' SER . . . . . 0.61 ' OG ' ' HB2' ' A' ' 986' ' ' LEU . 17.5 m -70.92 -32.54 69.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 0.0 110.451 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 96.0 mt-30 -67.63 -35.76 79.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.81 99.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.069 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -133.11 75.45 71.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.318 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.59 2.03 6.84 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.8 2.333 . . . . 0.0 113.568 -172.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -115.48 0.63 13.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.983 0.42 . . . . 0.0 110.576 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 50.0 m -105.66 122.84 41.3 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.185 -174.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -56.52 -36.7 97.95 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.212 2.608 . . . . 0.0 113.169 -177.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 23.2 t -64.94 -34.22 77.91 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.035 0.445 . . . . 0.0 110.316 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . 0.446 ' HB3' ' HA ' ' A' ' 973' ' ' SER . . . -73.8 -42.9 60.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.153 177.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . 0.467 ' HG3' HG13 ' A' ' 914' ' ' VAL . 0.0 OUTLIER -55.16 -51.59 66.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.146 177.541 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . 0.469 HD12 HD11 ' A' ' 987' ' ' ILE . 4.4 mm? -65.83 -23.26 66.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.751 -177.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.65 99.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.465 178.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . 0.61 ' HB2' ' OG ' ' A' ' 973' ' ' SER . 0.6 OUTLIER -71.4 -44.01 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.892 177.644 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . 0.469 HD11 HD12 ' A' ' 984' ' ' LEU . 67.1 mt -57.74 -48.22 84.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.066 -178.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.69 88.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . 0.403 ' HB1' ' HA ' ' A' ' 966' ' ' LEU . . . -61.79 -40.94 96.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.291 -178.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.573 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 50.3 m -60.92 -50.18 74.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . 0.682 ' HA ' HD11 ' A' ' 994' ' ' LEU . 47.7 mt-30 -64.88 -39.99 94.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.827 -178.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 49.3 m -65.09 -35.4 81.02 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.905 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -71.14 -29.54 65.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.706 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.682 HD11 ' HA ' ' A' ' 991' ' ' GLN . 84.2 mt -59.62 -36.61 76.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.089 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.593 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 53.0 tt0 -57.17 -63.36 3.76 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.151 -176.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . 0.699 ' HG3' ' HG3' ' A' ' 962' ' ' GLN . 72.5 Cg_endo -76.25 -27.04 8.41 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.575 1.516 . . . . 0.0 112.213 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.456 ' O ' HG22 ' A' 1001 ' ' VAL . . . -60.37 -49.71 75.62 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.942 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.74 -30.3 74.54 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.204 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 63.4 mttm -62.79 -43.59 98.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.668 0.271 . . . . 0.0 110.679 178.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1000 ' ' MET . . . . . 0.715 ' HE3' ' HB ' ' A' ' 931' ' ' THR . 43.4 ttp -72.94 -30.26 63.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.349 -177.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 997' ' ' GLY . 65.7 t -61.24 -46.66 96.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.14 0.495 . . . . 0.0 109.987 174.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -68.54 -45.07 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.77 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.05 92.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.041 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.11 -52.09 67.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.64 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -60.45 -38.67 84.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.244 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -81.65 -19.53 41.51 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -175.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1007 ' ' SER . . . . . 0.489 ' O ' HG13 ' A' 1011 ' ' ILE . 8.7 t -88.6 -20.85 24.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.809 0.337 . . . . 0.0 110.465 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.747 HG11 ' HB1' ' A' 1017 ' ' ALA . 54.3 t -50.3 -53.14 47.82 Favored Pre-proline 0 CA--C 1.545 0.771 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.076 177.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.31 -16.98 24.58 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.965 1.777 . . . . 0.0 113.896 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1010 ' ' THR . . . . . 0.407 ' HB ' ' HB2' ' A' ' 945' ' ' SER . 35.2 p -90.88 -31.29 16.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 111.46 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.688 ' HA ' ' HB3' ' A' ' 941' ' ' ALA . 87.0 mt -62.31 -45.51 98.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.051 0.453 . . . . 0.0 110.687 177.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 60.11 28.16 17.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.935 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1013 ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' 1014 ' ' GLN . 17.6 t70 -95.5 -14.64 23.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.378 0.609 . . . . 0.0 110.07 177.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.523 ' O ' ' HG3' ' A' 1018 ' ' MET . 27.1 mt-30 69.52 -71.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.341 -177.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -59.91 -53.59 56.13 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -173.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 15.0 m -63.16 -35.64 80.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.193 0.521 . . . . 0.0 110.657 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.747 ' HB1' HG11 ' A' 1008 ' ' VAL . . . -69.3 -36.34 76.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.367 -178.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1018 ' ' MET . . . . . 0.523 ' HG3' ' O ' ' A' 1014 ' ' GLN . 67.6 mtt -65.51 -32.28 73.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.052 0.453 . . . . 0.0 110.232 177.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -65.55 -43.36 90.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.802 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.06 -45.26 91.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.261 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 12.6 t -61.87 -37.95 86.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.697 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -68.07 -44.75 75.61 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.929 0.395 . . . . 0.0 110.652 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 70.3 m -64.3 -45.41 88.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.9 -29.71 70.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.963 0.411 . . . . 0.0 111.125 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -61.9 -48.87 78.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.153 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -70.33 -52.14 24.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.979 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 55.3 tp -56.98 -44.89 83.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.37 -176.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -57.82 -46.27 92.55 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.786 -178.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 10.5 m -80.08 -25.8 39.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.878 0.371 . . . . 0.0 111.183 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -64.45 -45.31 88.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.39 -31.86 72.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.756 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.23 -55.7 31.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.577 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -81.68 -17.47 47.86 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.913 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.19 -42.66 99.49 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -62.74 -42.84 99.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.351 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 17.4 m -62.06 -45.01 95.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.195 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -66.72 -43.84 83.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.16 77.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.977 0.418 . . . . 0.0 110.671 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.82 -57.35 13.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.34 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1040 ' ' LYS . . . . . 0.474 ' HA ' ' HG2' ' A' 1043 ' ' GLU . 86.1 mttt -63.15 -32.69 74.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.446 -176.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -69.01 -30.14 68.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -78.05 -40.03 40.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.689 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1043 ' ' GLU . . . . . 0.474 ' HG2' ' HA ' ' A' 1040 ' ' LYS . 5.1 pt-20 -76.88 -8.22 56.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.448 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.666 -0.683 . . . . 0.0 110.667 179.81 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.981 -0.448 . . . . 0.0 111.981 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 62.8 mt 69.3 99.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 121.078 0.466 . . . . 0.0 110.574 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -93.54 121.27 65.22 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.75 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -75.31 88.5 1.26 Allowed 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.604 2.203 . . . . 0.0 112.382 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -76.65 -80.85 0.09 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 174.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 912' ' ' THR . . . . . 0.52 ' OG1' ' HG2' ' A' ' 915' ' ' GLN . 75.2 p -137.66 175.16 9.84 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 173.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 82.2 mt -78.26 -24.58 46.81 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.073 0.463 . . . . 0.0 109.857 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . 0.593 HG23 HE21 ' A' ' 915' ' ' GLN . 20.0 m -87.58 -27.39 5.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.986 -177.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . 0.593 HE21 HG23 ' A' ' 914' ' ' VAL . 13.4 mm-40 -68.45 -41.84 79.66 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.144 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -67.56 -27.68 67.15 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.64 -52.09 35.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.112 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -53.81 -40.15 66.1 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 176.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -62.11 -50.38 72.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.277 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . 0.518 ' HA ' HE21 ' A' ' 923' ' ' GLN . . . -67.45 -42.66 82.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.2 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -58.74 -48.07 82.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -67.57 -42.39 82.64 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.351 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . 0.518 HE21 ' HA ' ' A' ' 920' ' ' ALA . 28.4 pt20 -73.64 -29.14 62.16 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.746 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.46 83.25 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.73 81.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.316 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -64.56 -52.27 58.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.194 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 60.2 m -63.03 -35.79 81.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.861 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . 0.546 ' HB1' ' HZ ' ' A' ' 993' ' ' PHE . . . -59.87 -49.66 76.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.183 175.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 25.3 m -57.46 -43.21 83.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.623 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.74 -47.84 84.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.617 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 931' ' ' THR . . . . . 0.595 ' HB ' ' HE2' ' A' 1000 ' ' MET . 19.0 m -62.78 -42.06 99.53 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.87 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.617 HD11 HD12 ' A' ' 963' ' ' ILE . 72.1 mt -65.25 -45.27 94.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.719 0.295 . . . . 0.0 111.296 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.37 92.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.599 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -66.61 -40.4 88.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.494 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.528 ' HB2' ' HG ' ' A' ' 952' ' ' LEU . . . -56.87 -56.67 18.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.527 -178.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -71.08 -18.17 62.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.88 -175.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -87.22 -35.44 18.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.776 0.322 . . . . 0.0 110.68 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . 0.615 ' HB2' ' HB3' ' A' 1016 ' ' SER . . . -87.5 -39.17 15.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.927 -175.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . 0.584 ' HB3' ' HG2' ' A' ' 950' ' ' PRO . . . -70.14 -18.61 63.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.982 0.42 . . . . 0.0 111.367 -177.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 70.3 m -81.77 78.14 8.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.243 0.544 . . . . 0.0 110.871 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -99.38 110.12 57.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.755 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . 0.633 ' HA ' ' O ' ' A' ' 946' ' ' ALA . 38.8 Cg_exo -59.22 112.49 1.25 Allowed 'Trans proline' 0 CA--C 1.511 -0.628 0 C-N-CA 122.703 2.268 . . . . 0.0 112.279 -177.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -167.81 115.12 0.73 Allowed 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.016 -175.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . 53.85 84.78 0.06 Allowed 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.912 0.758 . . . . 0.0 112.163 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 16.8 t 64.21 84.2 0.15 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.736 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.633 ' O ' ' HA ' ' A' ' 942' ' ' PRO . . . 70.13 -72.54 0.11 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.927 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 172.97 -169.11 42.26 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.517 ' O ' ' HD3' ' A' ' 950' ' ' PRO . 92.8 Cg_endo -82.36 166.02 16.23 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.538 2.158 . . . . 0.0 112.662 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -109.77 85.33 3.89 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.644 175.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . 0.584 ' HG2' ' HB3' ' A' ' 939' ' ' ALA . 2.6 Cg_endo -81.25 158.51 20.07 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.989 2.46 . . . . 0.0 112.913 -173.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 6.5 mp -72.09 -23.82 61.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.934 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . 0.528 ' HG ' ' HB2' ' A' ' 935' ' ' ALA . 42.0 tp -55.63 -45.6 77.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.109 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . 0.736 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 53.2 t -65.25 -39.57 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -60.39 -41.09 93.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 48.8 m -72.09 -47.44 51.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.183 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . 0.736 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 22.3 p -65.61 -25.91 67.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.982 0.42 . . . . 0.0 110.652 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 953' ' ' VAL . 19.6 tptp -62.64 -46.14 89.6 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.929 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -66.47 -52.29 47.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.409 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 963' ' ' ILE . 60.7 t -55.35 -39.25 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.365 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -58.44 -27.1 64.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.528 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -81.64 -35.25 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.88 0.372 . . . . 0.0 110.75 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . 0.543 ' HA ' HD12 ' A' ' 965' ' ' LEU . 1.8 mp0 -76.51 -17.95 58.99 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.617 HD12 HD11 ' A' ' 932' ' ' ILE . 72.3 mt -56.31 -57.0 25.57 Favored Pre-proline 0 N--CA 1.47 0.543 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.1 -31.81 93.84 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.987 1.791 . . . . 0.0 111.917 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 962' ' ' GLN . 97.9 mt -63.0 -42.47 99.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.537 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.603 ' O ' HG21 ' A' ' 970' ' ' VAL . 57.9 mt -60.0 -59.28 5.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.617 175.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . 0.489 ' O ' ' HG2' ' A' ' 971' ' ' ARG . 52.2 t -60.63 -42.74 92.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.749 -173.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -69.73 -30.29 67.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.627 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.24 -42.21 97.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.462 -0.875 . . . . 0.0 110.933 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.603 HG21 ' O ' ' A' ' 966' ' ' LEU . 41.3 t -60.83 -42.62 93.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.949 0.404 . . . . 0.0 109.913 174.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 967' ' ' VAL . 27.5 mmt180 -60.62 -37.57 81.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -65.98 -40.36 95.24 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.599 175.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 47.4 t -62.57 -43.33 99.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.861 0.362 . . . . 0.0 110.77 177.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.559 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 87.3 mt-30 -65.3 -22.81 66.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -78.47 -47.16 18.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.494 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -134.36 88.82 29.04 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.609 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . 0.516 ' HA ' ' NE2' ' A' ' 983' ' ' GLN . 48.1 Cg_endo -69.75 -23.47 30.79 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.991 2.46 . . . . 0.0 113.002 -177.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -93.52 -35.14 13.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.65 0.262 . . . . 0.0 110.899 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 979' ' ' SER . . . . . 0.419 ' HA ' ' HD2' ' A' ' 980' ' ' PRO . 46.6 t -67.82 119.13 64.26 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.997 0.427 . . . . 0.0 111.192 -176.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 979' ' ' SER . 24.7 Cg_endo -62.61 -29.37 77.89 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.869 2.38 . . . . 0.0 111.546 176.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 3.9 m -61.95 -35.9 79.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.766 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -81.38 -42.71 20.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.68 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . 0.516 ' NE2' ' HA ' ' A' ' 977' ' ' PRO . 81.1 mm-40 -63.82 -39.73 94.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.272 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 980' ' ' PRO . 15.2 tp -57.2 -32.9 66.95 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.328 -177.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.72 99.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -47.37 61.16 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . 0.443 HG22 ' HB2' ' A' 1042 ' ' GLN . 78.5 mt -57.28 -46.64 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.09 -178.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.92 82.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.855 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.02 84.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.976 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.63 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 44.1 m -60.74 -46.98 88.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.804 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . 0.558 ' HA ' HD11 ' A' ' 994' ' ' LEU . 47.0 mt-30 -66.42 -38.73 88.11 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.069 0.462 . . . . 0.0 110.817 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 29.0 t -74.87 -6.72 50.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.58 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.546 ' HZ ' ' HB1' ' A' ' 928' ' ' ALA . 91.6 t80 -98.12 -29.95 12.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 109.974 176.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 990' ' ' SER . 81.2 mt -58.42 -42.44 87.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.268 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.796 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 24.0 tp60 -63.48 -60.0 10.46 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.03 -177.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . 0.796 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 18.5 Cg_exo -66.97 -39.97 12.91 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.025 1.817 . . . . 0.0 111.976 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.44 ' O ' HG21 ' A' 1001 ' ' VAL . . . -61.92 -43.47 99.14 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.348 -178.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.68 -37.86 94.17 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.058 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -70.97 -29.03 64.91 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.399 -0.12 . . . . 0.0 111.191 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1000 ' ' MET . . . . . 0.595 ' HE2' ' HB ' ' A' ' 931' ' ' THR . 50.3 ttp -72.96 -33.59 65.98 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.44 HG21 ' O ' ' A' ' 997' ' ' GLY . 75.9 t -60.52 -47.64 91.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.77 174.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -62.57 -51.56 66.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.964 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -60.98 -38.99 87.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.61 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.558 ' O ' HG21 ' A' 1008 ' ' VAL . . . -62.96 -53.23 57.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.737 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.29 -35.1 76.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.379 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -76.65 -20.6 56.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.102 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1007 ' ' SER . . . . . 0.449 ' O ' HG13 ' A' 1011 ' ' ILE . 24.9 t -87.95 -23.29 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.494 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.558 HG21 ' O ' ' A' 1004 ' ' ALA . 77.5 t -51.1 -50.65 74.12 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1009 ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' 1008 ' ' VAL . 36.0 Cg_endo -67.05 -24.78 44.72 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.921 1.747 . . . . 0.0 113.272 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 74.6 p -84.1 -5.1 59.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.37 0.605 . . . . 0.0 110.603 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.6 HD12 ' HB1' ' A' ' 938' ' ' ALA . 86.5 mt -99.5 133.39 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.661 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -111.56 23.25 14.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.236 0.541 . . . . 0.0 110.945 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1013 ' ' ASP . . . . . 0.557 ' H ' HG22 ' A' 1011 ' ' ILE . 31.6 t70 -111.4 109.54 19.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.124 170.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -55.78 -44.63 77.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.159 -173.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.59 73.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.731 0.301 . . . . 0.0 111.193 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1016 ' ' SER . . . . . 0.615 ' HB3' ' HB2' ' A' ' 938' ' ' ALA . 22.6 m -66.49 -41.33 89.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.085 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.49 -49.99 74.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.273 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1018 ' ' MET . . . . . 0.753 ' HE2' ' HA ' ' A' 1018 ' ' MET . 20.5 mmt -68.15 -36.32 79.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.667 -178.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -59.47 -50.51 73.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.343 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.01 -42.13 93.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.297 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 38.0 m -59.13 -42.8 91.49 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.836 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.96 -46.96 40.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.615 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 84.5 m -57.71 -50.82 71.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.266 -178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.26 77.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.869 0.366 . . . . 0.0 111.001 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -63.89 -45.82 87.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.179 0.514 . . . . 0.0 110.392 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -72.8 -37.61 67.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.492 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1027 ' ' LEU . . . . . 0.406 ' O ' ' HG ' ' A' 1031 ' ' LEU . 55.8 tp -59.72 -38.11 80.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.52 177.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.0 -46.59 93.5 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.318 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 37.1 m -72.17 -33.81 67.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.892 0.377 . . . . 0.0 110.774 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -57.55 -46.2 84.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.825 175.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1031 ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' 1027 ' ' LEU . 96.3 mt -65.59 -34.6 78.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.764 176.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -59.71 -59.22 5.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.453 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -76.76 -19.46 57.6 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.554 -0.459 . . . . 0.0 111.193 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.61 -50.06 68.66 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 172.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -62.1 -42.02 98.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.088 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 38.4 m -59.57 -45.87 90.59 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.079 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -68.68 -50.73 48.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.068 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -56.75 -44.44 81.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.414 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -55.93 -54.07 49.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.995 0.426 . . . . 0.0 111.411 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1040 ' ' LYS . . . . . 0.66 ' HB2' ' HZ2' ' A' 1040 ' ' LYS . 10.2 mtmp? -73.84 -15.81 61.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.86 -174.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -91.25 -30.72 16.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.926 0.394 . . . . 0.0 110.693 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1042 ' ' GLN . . . . . 0.443 ' HB2' HG22 ' A' ' 987' ' ' ILE . 63.8 tt0 -62.89 -41.88 99.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.873 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -91.07 8.11 37.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.494 -177.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.71 -178.552 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' ' 908' ' ' ILE . 0.2 OUTLIER -131.73 136.73 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.212 0.529 . . . . 0.0 110.561 178.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -107.43 129.34 24.4 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.62 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -80.51 12.83 2.43 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.872 2.381 . . . . 0.0 113.229 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 53.38 97.79 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.193 0.997 . . . . 0.0 111.941 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 912' ' ' THR . . . . . 0.529 ' O ' ' HG3' ' A' ' 916' ' ' ARG . 21.5 p -63.89 161.36 15.72 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.231 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.514 HD12 ' CB ' ' A' 1044 ' ' ALA . 89.1 mt -60.66 -43.86 97.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.281 -175.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . 0.52 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 35.6 m -70.58 -30.52 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.153 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -63.99 -36.28 83.46 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.482 0.658 . . . . 0.0 110.033 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 912' ' ' THR . 55.1 mtt180 -68.96 -34.22 74.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.92 177.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . 0.535 HD11 ' HA ' ' A' 1038 ' ' ALA . 20.2 mt -62.56 -47.32 84.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.025 174.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 66.0 mt-10 -49.26 -58.02 5.78 Favored 'General case' 0 C--N 1.332 -0.157 0 O-C-N 123.633 0.583 . . . . 0.0 110.64 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -69.25 -34.76 75.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.532 -175.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -70.31 -41.27 73.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.259 -178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.09 79.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . 0.515 ' CG ' HG11 ' A' ' 970' ' ' VAL . 54.6 mtpt -66.44 -46.07 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.772 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -71.13 -31.19 67.42 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.371 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.25 75.33 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 175.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . 0.48 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.22 -41.08 87.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.54 176.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.95 -53.94 42.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.985 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 39.5 m -60.6 -36.1 77.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.87 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . 0.595 ' HB3' ' HZ ' ' A' ' 993' ' ' PHE . . . -62.23 -48.52 79.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.274 176.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 26.6 m -59.57 -42.06 91.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.475 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -63.28 -44.37 95.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 931' ' ' THR . . . . . 0.425 ' HB ' ' HE1' ' A' 1000 ' ' MET . 26.6 m -65.4 -40.88 93.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.356 179.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.607 HG21 ' SG ' ' A' ' 956' ' ' CYS . 45.6 mt -58.3 -49.39 82.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.61 175.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -57.41 -42.78 82.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.189 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -71.64 -36.31 70.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.935 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.502 ' O ' ' HB1' ' A' ' 939' ' ' ALA . . . -64.7 -35.77 82.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.699 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 13.4 pt20 -101.66 23.67 10.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.758 0.313 . . . . 0.0 111.343 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -141.26 -67.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.014 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . 0.752 ' HB1' ' HB3' ' A' 1016 ' ' SER . . . -83.56 -30.66 26.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.45 -175.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 935' ' ' ALA . . . -65.95 98.28 0.41 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.615 0.721 . . . . 0.0 110.983 -178.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.692 ' H ' HG12 ' A' 1011 ' ' ILE . 8.1 t -107.01 164.02 12.49 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.848 176.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . 0.677 ' HA ' ' HB ' ' A' 1010 ' ' THR . . . -147.6 149.09 32.91 Favored Pre-proline 0 C--N 1.311 -1.073 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.711 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . 0.669 ' HB3' ' HB2' ' A' ' 945' ' ' SER . 49.0 Cg_exo -56.37 102.89 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.573 2.182 . . . . 0.0 111.511 177.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -49.87 -47.52 51.83 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 124.012 0.82 . . . . 0.0 112.602 -173.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -117.15 -25.88 6.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.742 0.306 . . . . 0.0 111.374 -177.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 945' ' ' SER . . . . . 0.669 ' HB2' ' HB3' ' A' ' 942' ' ' PRO . 16.7 m -64.5 -28.6 69.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.828 -177.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -145.56 -50.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 111.076 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 137.67 134.85 3.29 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.778 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.652 ' HA ' ' HB2' ' A' ' 941' ' ' ALA . 87.1 Cg_endo -81.81 179.22 5.83 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.755 2.304 . . . . 0.0 112.251 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 55.02 79.0 0.36 Allowed Pre-proline 0 N--CA 1.466 0.344 0 C-N-CA 123.052 0.541 . . . . 0.0 111.542 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . 0.441 ' C ' ' H ' ' A' ' 952' ' ' LEU . 5.2 Cg_exo -79.69 51.39 3.87 Favored 'Trans proline' 0 CA--C 1.529 0.228 0 C-N-CA 123.394 2.73 . . . . 0.0 111.906 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 70.86 -16.89 0.32 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.639 0.776 . . . . 0.0 112.376 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . 0.441 ' H ' ' C ' ' A' ' 950' ' ' PRO . 23.9 mt -51.28 -43.3 61.57 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 52.5 t -59.46 -36.63 65.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.062 0.458 . . . . 0.0 110.924 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . 0.512 ' HA ' ' HE2' ' A' ' 957' ' ' LYS . 53.2 mm-40 -77.42 -47.45 19.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.318 -177.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 8.7 m -63.06 -37.1 85.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.731 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . 0.607 ' SG ' HG21 ' A' ' 932' ' ' ILE . 42.3 t -56.39 -43.68 79.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.073 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.512 ' HE2' ' HA ' ' A' ' 954' ' ' GLN . 52.9 mtmt -61.9 -41.2 97.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.763 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.8 82.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.448 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 963' ' ' ILE . 83.2 t -63.91 -41.49 92.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.81 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -58.5 -27.46 64.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.175 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.426 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 41.5 mm-40 -87.2 -22.16 25.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.834 0.349 . . . . 0.0 111.059 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . 0.681 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 86.0 mm-40 -90.4 -26.72 19.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.61 -176.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 959' ' ' VAL . 82.6 mt -54.31 -54.11 51.72 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.1 Cg_endo -59.76 -30.98 93.33 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.028 1.818 . . . . 0.0 112.262 178.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.42 -36.55 79.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.591 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.63 ' O ' HG21 ' A' ' 970' ' ' VAL . 87.5 mt -61.18 -60.6 3.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.103 0.478 . . . . 0.0 109.997 173.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 43.6 t -58.5 -41.79 82.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.737 -174.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.04 -45.97 91.06 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -62.94 -43.04 99.49 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.04 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.63 HG21 ' O ' ' A' ' 966' ' ' LEU . 61.1 t -56.97 -51.92 62.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.862 0.363 . . . . 0.0 110.605 177.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -60.71 -33.98 73.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.673 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.21 -42.13 99.72 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.877 -0.677 . . . . 0.0 111.898 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 35.8 t -74.15 -39.21 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.788 0.328 . . . . 0.0 110.834 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.2 -25.95 68.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.288 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -95.05 -46.91 6.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.919 178.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . 0.575 ' HB3' ' HG ' ' A' ' 979' ' ' SER . 29.4 mt-30 -108.45 96.95 20.59 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.904 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -90.79 13.74 2.12 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.764 2.309 . . . . 0.0 114.312 -172.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -143.18 -32.96 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.173 -0.611 . . . . 0.0 112.513 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 979' ' ' SER . . . . . 0.575 ' HG ' ' HB3' ' A' ' 976' ' ' GLN . 10.1 p -66.43 116.68 36.48 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.308 . . . . 0.0 111.211 -178.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.97 -33.76 73.95 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.195 2.596 . . . . 0.0 112.998 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 2.5 p -61.24 -24.63 66.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.769 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -80.11 -52.86 7.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.393 . . . . 0.0 110.666 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . 0.478 ' O ' HG13 ' A' ' 987' ' ' ILE . 22.2 mp0 -65.48 -44.63 86.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.571 -178.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.97 -24.3 67.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.494 0.188 . . . . 0.0 111.266 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -69.24 -45.85 68.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.067 0.461 . . . . 0.0 109.921 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' ' 917' ' ' LEU . 4.1 tt -63.77 -50.64 68.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.771 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 983' ' ' GLN . 71.3 mt -57.83 -44.35 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.245 -177.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.08 85.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.765 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.6 80.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.077 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.566 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.6 m -58.87 -52.08 67.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.878 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . 0.644 ' HA ' HD13 ' A' ' 994' ' ' LEU . 70.8 mt-30 -66.4 -37.33 85.01 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.315 0.578 . . . . 0.0 110.257 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 42.7 t -65.26 -25.58 67.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.826 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.595 ' HZ ' ' HB3' ' A' ' 928' ' ' ALA . 87.3 t80 -87.61 -30.05 20.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.644 HD13 ' HA ' ' A' ' 991' ' ' GLN . 98.1 mt -53.11 -48.65 67.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.625 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.737 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 20.8 tp60 -62.02 -58.65 16.53 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -177.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . 0.737 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 52.4 Cg_exo -57.09 -41.03 79.0 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.123 1.882 . . . . 0.0 112.174 177.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.523 ' O ' HG22 ' A' 1001 ' ' VAL . . . -59.37 -50.41 68.09 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.86 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.65 -35.36 89.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.344 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.23 -39.13 93.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.569 0.223 . . . . 0.0 110.863 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1000 ' ' MET . . . . . 0.425 ' HE1' ' HB ' ' A' ' 931' ' ' THR . 50.2 ttp -76.27 -31.07 58.08 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.126 -178.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 997' ' ' GLY . 99.1 t -60.46 -50.01 82.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.91 0.386 . . . . 0.0 110.007 174.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.71 92.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.977 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.36 90.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.019 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.521 ' O ' HG21 ' A' 1008 ' ' VAL . . . -63.89 -46.66 83.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.739 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.6 mttt -60.68 -33.5 72.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -77.76 -20.62 53.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.066 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1007 ' ' SER . . . . . 0.569 ' O ' HG13 ' A' 1011 ' ' ILE . 36.5 t -92.42 -14.19 28.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.999 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' 1004 ' ' ALA . 73.5 t -56.41 -52.19 75.11 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1009 ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' 1008 ' ' VAL . 48.7 Cg_endo -68.92 -18.0 41.22 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 121.758 1.639 . . . . 0.0 113.395 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1010 ' ' THR . . . . . 0.677 ' HB ' ' HA ' ' A' ' 941' ' ' ALA . 49.0 p -85.27 -14.17 47.47 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.024 -178.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.692 HG12 ' H ' ' A' ' 940' ' ' SER . 63.1 mt -77.2 125.07 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.943 176.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -74.67 -31.3 61.88 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -75.26 97.35 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.418 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.413 ' O ' ' HG3' ' A' 1018 ' ' MET . 76.0 mt-30 -60.56 -39.56 88.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.981 -172.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.66 91.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1016 ' ' SER . . . . . 0.752 ' HB3' ' HB1' ' A' ' 938' ' ' ALA . 37.4 m -68.08 -29.17 68.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.537 ' HA ' HD12 ' A' 1011 ' ' ILE . . . -65.98 -45.12 82.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.074 0.464 . . . . 0.0 110.211 175.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1018 ' ' MET . . . . . 0.413 ' HG3' ' O ' ' A' 1014 ' ' GLN . 64.3 mtt -64.41 -34.14 77.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.076 176.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.18 -53.66 54.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.452 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.63 -42.72 88.9 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 39.5 t -59.74 -42.23 92.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.519 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.63 -40.09 80.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.939 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 80.2 m -57.76 -52.73 64.26 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.541 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.41 87.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.158 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -60.95 -46.05 92.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.557 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -69.55 -38.31 77.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.656 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1027 ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' 1031 ' ' LEU . 55.9 tp -58.78 -37.95 77.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.118 175.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.48 -40.74 96.59 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.396 176.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 74.7 m -73.37 -35.98 66.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.97 0.414 . . . . 0.0 110.531 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.28 89.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.031 175.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1031 ' ' LEU . . . . . 0.473 HD21 ' HA ' ' A' ' 994' ' ' LEU . 88.6 mt -68.08 -36.55 80.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.561 175.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.32 -61.84 2.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.865 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.19 -30.13 69.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.012 -176.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 52.7 tp -65.09 -47.43 77.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.112 0.482 . . . . 0.0 110.192 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -58.35 -47.94 82.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.458 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 35.9 m -64.42 -44.07 92.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.446 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.0 96.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.902 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1038 ' ' ALA . . . . . 0.535 ' HA ' HD11 ' A' ' 917' ' ' LEU . . . -63.06 -39.49 94.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.826 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -60.94 -47.95 84.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.126 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.76 -46.3 69.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.241 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -65.17 -36.55 84.58 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -174.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1042 ' ' GLN . . . . . 0.432 ' HB2' HG23 ' A' ' 987' ' ' ILE . 63.8 tt0 -68.77 -21.92 64.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.714 0.292 . . . . 0.0 111.104 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -107.2 12.95 27.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.966 0.412 . . . . 0.0 110.869 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1044 ' ' ALA . . . . . 0.514 ' CB ' HD12 ' A' ' 913' ' ' LEU . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.578 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 111.958 -0.457 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 10.1 mt 54.24 41.32 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.706 0.765 . . . . 0.0 109.75 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -72.75 115.34 38.92 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.413 -172.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -90.03 14.28 2.14 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.101 2.534 . . . . 0.0 112.218 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -81.8 -72.81 0.42 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.494 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 48.0 p -131.5 175.56 9.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.157 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 41.8 mt -81.83 -25.6 35.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.881 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 6.7 m -81.16 -23.7 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.084 -176.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.12 -32.12 73.43 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.696 0.76 . . . . 0.0 109.777 173.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -66.06 -37.54 86.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.208 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . 0.6 ' HB3' HD23 ' A' ' 986' ' ' LEU . 95.1 mt -64.23 -36.07 82.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.13 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -55.2 -48.55 73.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.129 0.49 . . . . 0.0 110.744 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -75.95 -43.87 42.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.743 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . 0.434 ' HA ' ' HG2' ' A' ' 923' ' ' GLN . . . -63.4 -38.91 92.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.783 -176.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.32 87.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.737 0.304 . . . . 0.0 111.113 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -69.95 -41.71 74.16 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.291 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . 0.434 ' HG2' ' HA ' ' A' ' 920' ' ' ALA . 19.1 pt20 -70.37 -31.05 68.15 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.722 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -71.01 -45.19 64.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.999 0.428 . . . . 0.0 110.035 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . 0.563 ' HB3' HG21 ' A' ' 963' ' ' ILE . . . -59.92 -33.22 71.58 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.735 177.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -74.61 -55.39 5.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.295 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 19.8 p -62.47 -34.99 77.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 111.478 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . 0.572 ' HB2' HG12 ' A' ' 959' ' ' VAL . . . -59.21 -44.62 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.772 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 38.8 m -62.0 -41.32 97.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.543 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -63.03 -42.75 99.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.246 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 27.9 m -65.57 -37.91 88.04 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.9 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.542 ' O ' ' HG2' ' A' ' 936' ' ' GLN . 78.3 mt -61.51 -49.12 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 120.883 0.373 . . . . 0.0 110.279 175.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -57.3 -41.73 80.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.536 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -66.79 -49.76 64.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.863 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.607 ' HA ' HD22 ' A' 1020 ' ' LEU . . . -54.66 -57.31 11.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.367 -175.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 26.4 pt20 -73.64 -11.08 60.3 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -173.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -102.51 -31.49 10.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.881 0.372 . . . . 0.0 111.153 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . 0.587 ' HB2' HD13 ' A' 1011 ' ' ILE . . . -76.12 -41.35 50.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.091 0.472 . . . . 0.0 110.112 176.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -125.9 83.46 2.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.099 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 16.2 m -83.25 -43.6 15.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.927 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -161.56 120.0 1.44 Allowed Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.085 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . 0.441 ' HB2' ' HB2' ' A' ' 945' ' ' SER . 22.5 Cg_exo -65.04 98.06 0.3 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.724 2.283 . . . . 0.0 111.214 176.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -80.82 1.11 32.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.126 -172.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -121.16 14.06 11.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.077 0.465 . . . . 0.0 110.318 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 945' ' ' SER . . . . . 0.441 ' HB2' ' HB2' ' A' ' 942' ' ' PRO . 13.0 m -132.51 158.87 41.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.922 -178.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -93.06 -41.42 9.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.939 0.4 . . . . 0.0 110.974 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . -176.18 77.32 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.305 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -87.01 -169.78 0.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 123.047 2.498 . . . . 0.0 111.676 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . 0.451 ' O ' ' HG3' ' A' ' 949' ' ' GLN . 7.6 pt20 -113.22 95.07 33.74 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 121.109 0.48 . . . . 0.0 110.691 177.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . 0.497 ' C ' ' H ' ' A' ' 952' ' ' LEU . 3.2 Cg_exo -77.71 -36.61 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.555 2.17 . . . . 0.0 111.997 177.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.401 HD11 ' HA ' ' A' ' 951' ' ' LEU . 3.1 mm? 68.9 -30.14 0.18 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.599 0.76 . . . . 0.0 112.57 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . 0.652 HD23 ' HA ' ' A' 1004 ' ' ALA . 76.5 mt -47.3 -60.82 2.23 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 122.93 0.492 . . . . 0.0 112.319 -178.144 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 43.3 t -51.74 -42.93 32.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 111.486 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -71.61 -39.23 70.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.653 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 15.7 m -70.42 -39.89 74.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.766 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . 0.417 ' HB3' HG23 ' A' ' 932' ' ' ILE . 99.5 m -61.84 -35.7 79.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.189 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 961' ' ' GLU . 98.8 mttt -66.96 -40.89 87.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 0.0 110.52 176.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.83 -48.25 66.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.864 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.572 HG12 ' HB2' ' A' ' 928' ' ' ALA . 89.8 t -60.97 -38.8 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.817 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -62.84 -20.96 65.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.754 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 42.1 mt-10 -83.94 -26.99 28.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.077 0.465 . . . . 0.0 110.338 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . 0.657 ' HG3' ' HG3' ' A' ' 996' ' ' PRO . 11.2 mm100 -91.99 -26.92 18.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.563 -172.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.681 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 86.6 mt -54.59 -53.44 60.11 Favored Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.743 177.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . 0.681 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 36.9 Cg_exo -59.09 -35.69 97.6 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.096 1.864 . . . . 0.0 111.895 176.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 73.6 mt -64.29 -40.3 95.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.717 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.655 ' O ' HG21 ' A' ' 970' ' ' VAL . 55.0 mt -56.79 -61.75 2.22 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.186 174.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 57.7 t -60.68 -36.63 71.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.304 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -62.03 -43.84 97.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.9 -43.46 96.0 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.987 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.655 HG21 ' O ' ' A' ' 966' ' ' LEU . 43.8 t -57.2 -55.7 19.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.746 0.307 . . . . 0.0 110.25 177.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -60.15 -37.97 81.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.448 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.7 -39.98 98.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.814 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 15.3 m -77.0 -16.41 59.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.815 0.34 . . . . 0.0 110.876 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.566 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 25.9 mt-30 -84.38 -44.08 14.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.004 0.431 . . . . 0.0 110.302 175.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -66.09 -33.36 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.977 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -97.01 104.65 19.62 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 174.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.0 -61.14 0.63 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.046 2.497 . . . . 0.0 112.869 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -138.11 81.07 1.84 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.132 0.492 . . . . 0.0 109.675 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 29.8 t -120.18 122.71 28.7 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.471 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . 0.533 ' HA ' ' HG2' ' A' ' 983' ' ' GLN . 23.0 Cg_endo -62.76 -30.68 78.3 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.453 2.102 . . . . 0.0 111.295 177.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 47.6 t -68.12 -40.56 82.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.206 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -70.08 -50.53 39.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . 0.533 ' HG2' ' HA ' ' A' ' 980' ' ' PRO . 20.4 pt20 -60.28 -38.54 83.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.219 -176.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . 0.411 HD13 HD11 ' A' ' 987' ' ' ILE . 3.2 mm? -66.26 -33.26 75.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.94 177.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -68.11 -34.66 76.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.138 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . 0.6 HD23 ' HB3' ' A' ' 917' ' ' LEU . 0.6 OUTLIER -64.91 -47.56 77.34 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.753 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 983' ' ' GLN . 67.5 mt -56.56 -47.55 81.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.295 177.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -56.04 -49.82 72.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.263 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.87 97.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.008 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.503 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 30.6 m -58.91 -50.63 73.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.13 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . 0.644 ' HA ' HD11 ' A' ' 994' ' ' LEU . 97.7 mt-30 -65.11 -39.32 92.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.104 0.478 . . . . 0.0 110.969 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 55.0 m -69.49 -20.76 63.73 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.513 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.48 ' CG ' HD12 ' A' ' 966' ' ' LEU . 85.7 t80 -83.49 -28.58 28.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.943 0.402 . . . . 0.0 110.326 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.644 HD11 ' HA ' ' A' ' 991' ' ' GLN . 71.0 mt -60.82 -37.65 82.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.127 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.569 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 52.0 tp60 -56.28 -62.38 4.92 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.003 -178.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . 0.657 ' HG3' ' HG3' ' A' ' 962' ' ' GLN . 73.8 Cg_endo -76.39 -30.93 4.86 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.508 1.472 . . . . 0.0 112.492 179.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.451 ' O ' HG21 ' A' 1001 ' ' VAL . . . -64.64 -51.33 52.81 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.084 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -67.41 -20.88 71.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.996 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -77.25 -35.67 55.19 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 53.9 ttp -74.47 -27.42 60.58 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.154 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 997' ' ' GLY . 77.0 t -60.07 -48.28 88.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.99 174.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -67.51 -42.21 83.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.48 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -57.19 -41.83 80.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.07 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.652 ' HA ' HD23 ' A' ' 952' ' ' LEU . . . -64.99 -49.22 71.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.78 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 68.8 mttm -59.53 -36.88 77.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.208 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -77.51 -19.3 56.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.468 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1007 ' ' SER . . . . . 0.506 ' O ' HG13 ' A' 1011 ' ' ILE . 68.2 m -92.92 -15.48 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.481 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.549 HG11 ' HB1' ' A' 1017 ' ' ALA . 80.9 t -54.91 -51.69 77.13 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1009 ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' 1008 ' ' VAL . 41.1 Cg_endo -68.53 -17.23 43.46 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.991 1.794 . . . . 0.0 113.344 -178.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 46.9 p -88.4 -3.67 58.79 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.191 0.52 . . . . 0.0 111.09 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.587 HD13 ' HB2' ' A' ' 938' ' ' ALA . 66.9 mt -95.83 132.58 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.585 176.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1012 ' ' GLN . . . . . 0.857 ' HA ' HE21 ' A' 1012 ' ' GLN . 0.0 OUTLIER -84.7 -37.02 21.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.838 0.352 . . . . 0.0 110.269 -179.078 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -69.91 110.64 5.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.928 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -57.42 -38.58 74.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.357 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.99 98.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 0.0 110.761 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1016 ' ' SER . . . . . 0.495 ' HB3' ' HA ' ' A' ' 938' ' ' ALA . 19.9 m -67.14 -39.77 86.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.053 0.454 . . . . 0.0 110.198 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.549 ' HB1' HG11 ' A' 1008 ' ' VAL . . . -63.6 -42.84 98.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.586 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 87.2 mtp -68.61 -30.23 68.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.071 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -65.34 -46.67 79.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.607 HD22 ' HA ' ' A' ' 935' ' ' ALA . 11.5 mt -62.96 -44.62 95.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.684 175.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 34.5 t -58.52 -36.46 73.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.864 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -74.25 -49.86 21.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1023 ' ' CYS . . . . . 0.802 ' HA ' ' ND2' ' A' 1026 ' ' ASN . 83.9 m -66.42 -42.79 87.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.758 -175.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.63 72.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.103 0.477 . . . . 0.0 110.658 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -72.01 -40.61 68.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.099 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1026 ' ' ASN . . . . . 0.802 ' ND2' ' HA ' ' A' 1023 ' ' CYS . 7.6 p30 -81.07 -33.83 33.14 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.593 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 67.4 tp -64.56 -41.79 96.09 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 175.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.51 -40.01 93.88 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.989 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 16.2 m -75.2 -32.82 61.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.98 0.419 . . . . 0.0 110.605 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -63.66 -45.05 91.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.247 0.546 . . . . 0.0 110.011 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.97 -30.13 67.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.673 177.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.54 -59.67 4.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.287 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.29 -35.47 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.077 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.95 -48.08 83.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.06 0.457 . . . . 0.0 110.432 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -63.27 -46.02 88.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.674 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 93.5 m -61.54 -44.43 97.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.996 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.85 82.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.976 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.79 92.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.207 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1039 ' ' GLN . . . . . 0.501 ' O ' ' HG2' ' A' 1043 ' ' GLU . 10.1 tt0 -64.79 -44.69 89.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.195 178.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.33 -45.12 85.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.602 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -62.42 -33.6 75.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.914 -177.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1042 ' ' GLN . . . . . 0.437 ' NE2' HE22 ' A' ' 991' ' ' GLN . 8.2 tt0 -75.53 -45.18 39.58 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.057 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1043 ' ' GLU . . . . . 0.501 ' HG2' ' O ' ' A' 1039 ' ' GLN . 14.4 mm-40 -76.26 -12.48 60.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.816 0.341 . . . . 0.0 111.134 -176.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.596 -0.716 . . . . 0.0 110.93 -179.137 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.862 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 20.3 pt -109.95 118.52 57.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.325 0.583 . . . . 0.0 110.553 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -146.4 140.3 15.21 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.77 92.66 0.06 OUTLIER 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.0 2.467 . . . . 0.0 111.77 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -81.21 -170.64 2.84 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.066 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 68.1 p -81.89 172.25 13.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.238 0.542 . . . . 0.0 111.573 -176.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 33.9 mt -75.76 -37.3 59.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.882 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . 0.416 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 27.2 m -69.99 -25.58 28.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.763 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -44.48 85.01 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 173.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . 0.786 ' HA ' ' CD2' ' A' ' 919' ' ' HIS . 15.0 mtp180 -67.86 -39.83 83.71 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.384 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . 0.566 ' HB3' HD22 ' A' ' 986' ' ' LEU . 75.6 mt -54.09 -43.68 70.56 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.406 0.442 . . . . 0.0 110.288 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 47.9 mt-10 -55.15 -58.34 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.813 176.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . 0.786 ' CD2' ' HA ' ' A' ' 916' ' ' ARG . 10.6 p80 -72.23 -24.52 61.39 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -173.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -80.11 -45.87 17.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.346 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.39 -36.22 82.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.493 0.187 . . . . 0.0 111.261 -178.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -60.75 -51.9 67.37 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.971 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -69.25 -33.28 73.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.686 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -63.15 -48.04 80.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . 0.554 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.78 -41.23 90.65 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.78 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' A' ' 930' ' ' GLN . . . -65.14 -52.63 54.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.068 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 13.9 t -62.92 -37.49 87.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.687 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . 0.551 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -60.12 -44.78 94.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.614 177.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 57.6 m -57.15 -40.86 78.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.539 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 926' ' ' ALA . 17.7 mt-30 -68.87 -42.84 76.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.457 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 931' ' ' THR . . . . . 0.436 ' HB ' ' HE1' ' A' 1000 ' ' MET . 23.5 m -65.21 -39.32 92.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.464 -177.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.486 HG23 ' HB2' ' A' ' 956' ' ' CYS . 83.5 mt -61.01 -50.97 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.921 0.391 . . . . 0.0 110.681 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.98 87.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.351 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . 0.523 ' HB3' ' HG3' ' A' 1019 ' ' GLN . . . -63.38 -48.89 76.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.907 177.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.658 ' HA ' HD22 ' A' 1020 ' ' LEU . . . -59.1 -49.72 76.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.441 -177.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -67.26 -28.21 67.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.505 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -85.73 -47.18 10.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.707 0.289 . . . . 0.0 111.139 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.8 87.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.733 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -90.05 -6.67 55.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.031 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 23.2 t 61.45 87.08 0.1 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.47 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . 0.489 ' HA ' ' HD3' ' A' ' 942' ' ' PRO . . . -56.64 143.38 68.5 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.278 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . 0.834 ' HB3' ' HA ' ' A' ' 946' ' ' ALA . 4.6 Cg_exo -74.89 100.23 1.33 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.119 2.546 . . . . 0.0 112.923 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -90.8 -31.75 16.37 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 173.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -142.1 -39.7 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.409 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 61.8 m -102.27 112.72 25.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.984 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.834 ' HA ' ' HB3' ' A' ' 942' ' ' PRO . . . -83.82 147.12 27.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.216 -177.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . -142.26 172.46 24.21 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -71.24 83.47 0.98 Allowed 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.839 2.359 . . . . 0.0 112.664 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -149.5 52.2 1.07 Allowed Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.741 175.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . 0.664 ' HG2' HD22 ' A' ' 951' ' ' LEU . 43.4 Cg_endo -68.65 -36.1 15.26 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.122 1.881 . . . . 0.0 112.418 -173.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.664 HD22 ' HG2' ' A' ' 950' ' ' PRO . 3.1 mm? -71.06 -40.14 71.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.28 -178.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . 0.43 HD23 ' HB3' ' A' ' 935' ' ' ALA . 30.6 mt -58.19 -58.38 8.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . 0.591 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 42.1 t -65.43 -26.87 40.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.938 0.399 . . . . 0.0 111.399 -174.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . 0.517 ' HA ' ' OE1' ' A' ' 954' ' ' GLN . 6.0 tp60 -79.58 -37.73 35.66 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.856 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 955' ' ' SER . . . . . 0.484 ' HB2' ' HB2' ' A' 1000 ' ' MET . 30.3 p -78.17 -39.85 39.57 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.054 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . 0.591 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 21.2 p -60.71 -41.62 95.62 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.237 -176.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -67.64 -36.46 80.8 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.705 0.288 . . . . 0.0 110.536 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . 0.459 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -70.58 -51.95 24.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.582 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 963' ' ' ILE . 97.0 t -57.53 -40.24 73.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.883 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.17 66.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.827 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -83.64 -22.41 32.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.729 0.299 . . . . 0.0 111.191 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' ' 958' ' ' ALA . 16.5 mm100 -83.47 -23.65 32.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.238 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.695 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 93.1 mt -56.32 -54.82 48.84 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . 0.695 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 41.1 Cg_exo -58.28 -32.52 96.14 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.01 1.807 . . . . 0.0 112.24 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.16 -37.58 81.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.802 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.578 ' O ' HG21 ' A' ' 970' ' ' VAL . 78.8 mt -60.72 -56.23 23.79 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.283 174.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 52.2 t -61.82 -39.66 84.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.329 -175.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . 0.869 HE21 ' HA ' ' A' ' 968' ' ' GLN . 0.0 OUTLIER -64.49 -34.91 79.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.009 0.433 . . . . 0.0 110.047 175.75 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -67.47 -46.5 69.34 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.631 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.578 HG21 ' O ' ' A' ' 966' ' ' LEU . 42.3 t -58.38 -52.24 61.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.883 0.373 . . . . 0.0 110.359 177.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.45 -25.57 68.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.303 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -67.23 -44.13 87.13 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.721 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 20.5 t -72.77 -32.94 65.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.055 0.455 . . . . 0.0 110.172 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -68.16 -27.6 66.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -76.5 -41.08 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 110.634 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -133.79 95.55 17.32 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.05 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -69.19 -14.17 37.4 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.785 2.323 . . . . 0.0 112.149 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -120.59 74.77 1.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.442 0.639 . . . . 0.0 109.382 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 979' ' ' SER . . . . . 0.45 ' O ' ' HG2' ' A' ' 983' ' ' GLN . 33.5 t -159.33 108.56 1.52 Allowed Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.35 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.89 -35.71 98.62 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.568 2.178 . . . . 0.0 111.236 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 25.4 t -63.35 -44.55 94.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.368 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.31 94.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.83 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . 0.48 ' O ' HG13 ' A' ' 987' ' ' ILE . 40.0 mm-40 -65.95 -49.91 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.005 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.39 -24.98 65.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.702 -177.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -68.96 -45.9 69.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.838 0.351 . . . . 0.0 110.154 175.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 917' ' ' LEU . 2.4 tt -69.33 -46.94 65.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.783 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 983' ' ' GLN . 78.1 mt -56.49 -45.88 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.907 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -67.87 -42.05 81.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.98 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.78 85.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.822 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.578 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 36.2 m -60.22 -51.23 70.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.677 178.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . 0.629 ' HA ' HD13 ' A' ' 994' ' ' LEU . 68.7 mt-30 -64.9 -36.09 83.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.726 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 48.9 m -70.31 -18.5 63.1 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.3 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.551 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 88.4 t80 -93.42 -32.13 14.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.672 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.629 HD13 ' HA ' ' A' ' 991' ' ' GLN . 81.8 mt -56.62 -43.89 80.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.497 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.58 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 54.5 tp60 -60.32 -60.75 9.61 Favored Pre-proline 0 CA--C 1.543 0.679 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.995 -175.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 59.4 Cg_endo -73.07 -30.08 11.14 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.624 1.549 . . . . 0.0 112.285 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.447 ' O ' HG21 ' A' 1001 ' ' VAL . . . -64.65 -45.27 93.38 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.697 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.43 -34.81 86.87 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.829 177.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 98.1 mttt -63.1 -41.44 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.598 0.237 . . . . 0.0 110.732 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1000 ' ' MET . . . . . 0.484 ' HB2' ' HB2' ' A' ' 955' ' ' SER . 44.9 ttp -72.3 -33.48 67.42 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -177.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 997' ' ' GLY . 99.0 t -59.19 -49.62 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.999 0.428 . . . . 0.0 110.036 174.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.41 94.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.962 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.56 80.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.232 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.405 ' HB3' HD23 ' A' 1020 ' ' LEU . . . -61.22 -49.29 77.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.401 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.76 -28.99 69.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.941 0.401 . . . . 0.0 111.347 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -80.45 -15.11 57.56 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1007 ' ' SER . . . . . 0.506 ' O ' HG13 ' A' 1011 ' ' ILE . 18.9 m -91.67 -21.15 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.67 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.445 ' N ' ' HD2' ' A' 1009 ' ' PRO . 48.6 t -54.56 -49.26 92.08 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1009 ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' 1008 ' ' VAL . 56.0 Cg_endo -70.88 -15.45 32.89 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.896 1.731 . . . . 0.0 113.228 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 36.8 p -94.77 7.75 44.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.955 0.407 . . . . 0.0 111.14 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.632 HG21 ' HB2' ' A' 1016 ' ' SER . 66.3 mt -111.09 128.33 67.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.828 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -85.99 -19.66 30.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.953 0.406 . . . . 0.0 110.524 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.27 118.21 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.239 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.55 -36.66 84.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.481 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.37 87.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.888 0.375 . . . . 0.0 111.184 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1016 ' ' SER . . . . . 0.632 ' HB2' HG21 ' A' 1011 ' ' ILE . 29.0 m -68.65 -40.81 80.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.431 176.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -62.55 -47.96 81.56 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.156 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 25.2 ptt? -66.05 -32.32 73.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.567 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1019 ' ' GLN . . . . . 0.523 ' HG3' ' HB3' ' A' ' 934' ' ' ALA . 8.5 tp-100 -63.2 -46.66 85.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.447 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.658 HD22 ' HA ' ' A' ' 935' ' ' ALA . 25.0 mt -68.11 -46.68 70.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.358 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 7.8 t -60.97 -35.49 76.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.845 0.355 . . . . 0.0 110.713 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -67.38 -60.02 2.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.806 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 58.5 m -62.73 -48.56 78.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.895 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.3 -32.31 73.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.208 -176.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1025 ' ' LYS . . . . . 0.732 ' HB3' ' HZ1' ' A' 1025 ' ' LYS . 6.9 ttpm? -73.76 -39.31 64.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.993 0.425 . . . . 0.0 110.057 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -66.43 -44.53 82.62 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.641 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1027 ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' 1031 ' ' LEU . 51.2 tp -60.04 -41.43 92.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.132 176.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -62.08 -44.11 98.21 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.455 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 18.3 m -70.36 -31.75 69.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.126 0.488 . . . . 0.0 110.624 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -64.88 -48.21 75.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.104 175.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1031 ' ' LEU . . . . . 0.572 HD21 HD22 ' A' ' 994' ' ' LEU . 97.3 mt -64.27 -33.37 75.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.619 177.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.48 -55.55 27.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.447 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.43 -28.95 46.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.892 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 58.2 tp -63.63 -47.75 80.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.905 0.384 . . . . 0.0 110.27 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -60.63 -47.46 86.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.722 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 23.0 m -63.01 -40.72 98.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.828 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -69.39 -47.15 65.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.175 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -63.13 -33.75 76.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.072 -179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.41 -49.37 69.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.098 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.13 -40.62 90.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.116 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.93 83.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.066 0.46 . . . . 0.0 110.876 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -63.74 -45.85 87.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.783 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -92.29 15.23 14.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.413 -176.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.422 -0.799 . . . . 0.0 110.119 177.44 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 47.1 mm 63.42 78.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.527 0.68 . . . . 0.0 110.538 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -144.37 144.91 27.14 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.441 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -72.99 89.22 0.89 Allowed 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 122.025 1.816 . . . . 0.0 111.804 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -53.85 -42.45 68.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.949 175.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 4.1 t -164.51 178.51 7.34 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.727 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.443 ' O ' ' HG2' ' A' ' 916' ' ' ARG . 37.5 mt -66.42 -33.25 75.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.009 -175.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . 0.48 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 12.3 m -72.22 -15.32 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.756 0.313 . . . . 0.0 111.426 -175.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -66.25 -43.73 85.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.941 0.401 . . . . 0.0 110.5 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 913' ' ' LEU . 10.2 ptp180 -75.12 -20.99 59.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.906 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 62.4 tp -68.19 -46.65 70.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.011 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 47.1 mt-10 -56.25 -50.29 71.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.169 0.509 . . . . 0.0 110.043 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -59.09 -45.34 91.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.13 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -67.28 -41.88 84.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.459 -177.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.29 92.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.549 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 99.6 mttt -59.47 -52.03 67.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.789 0.328 . . . . 0.0 110.808 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -71.87 -27.96 63.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.343 -177.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . 0.525 ' HA ' ' HB2' ' A' 1030 ' ' ALA . . . -68.73 -48.39 63.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.843 0.354 . . . . 0.0 110.159 176.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . 0.59 ' HB3' HG23 ' A' ' 963' ' ' ILE . . . -59.63 -35.46 74.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.358 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -69.55 -58.5 3.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.353 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 18.9 p -59.49 -34.37 72.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.698 0.285 . . . . 0.0 111.228 -176.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . 0.558 ' HB1' ' HZ ' ' A' ' 993' ' ' PHE . . . -59.5 -40.89 88.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 175.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 46.0 m -59.82 -49.37 77.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.492 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -60.94 -41.02 95.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.359 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 24.9 m -63.99 -42.68 97.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 0.0 110.408 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.58 ' O ' ' HG2' ' A' ' 936' ' ' GLN . 79.6 mt -60.75 -51.15 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.754 176.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.29 -26.0 66.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.469 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -83.42 -50.54 8.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.59 ' HA ' HD22 ' A' 1020 ' ' LEU . . . -63.65 -57.6 9.54 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -172.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 13.1 pt20 -74.02 -10.51 59.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -173.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -98.2 -29.01 13.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.002 0.43 . . . . 0.0 110.025 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . 0.413 ' HB1' HD13 ' A' 1011 ' ' ILE . . . -79.26 -44.81 21.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.254 176.541 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . 0.59 ' HB2' HD11 ' A' ' 952' ' ' LEU . . . -81.87 69.42 8.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.145 0.498 . . . . 0.0 110.222 177.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 17.6 m -76.07 -37.27 58.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.91 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . 64.34 108.43 0.03 OUTLIER Pre-proline 0 C--O 1.235 0.316 0 O-C-N 124.103 0.877 . . . . 0.0 110.928 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -40.91 118.22 0.63 Allowed 'Trans proline' 0 CA--C 1.508 -0.779 0 C-N-CA 123.129 2.553 . . . . 0.0 111.514 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . 0.476 ' HB2' ' HZ2' ' A' ' 943' ' ' LYS . 0.2 OUTLIER -81.38 77.16 8.28 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.936 -162.566 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -132.71 -70.68 0.54 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.264 -1.335 . . . . 0.0 108.024 170.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 8.7 t -166.25 95.11 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.568 170.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -112.63 -34.52 5.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.522 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . 0.453 ' HA2' ' HD3' ' A' ' 948' ' ' PRO . . . 163.65 133.27 1.45 Allowed Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.659 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.453 ' HD3' ' HA2' ' A' ' 947' ' ' GLY . 14.9 Cg_exo -69.0 95.64 0.5 Allowed 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.858 2.372 . . . . 0.0 112.203 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . 0.432 ' HA ' ' HD2' ' A' ' 950' ' ' PRO . 79.2 mt-30 65.24 99.06 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.327 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.683 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . 0.433 ' HG2' HG22 ' A' ' 953' ' ' VAL . 30.8 Cg_endo -65.57 168.85 13.86 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.46 2.107 . . . . 0.0 111.579 175.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.1 -39.28 78.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.586 -176.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' A' ' 939' ' ' ALA . 58.2 mt -58.45 -57.41 13.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.922 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . 0.433 HG22 ' HG2' ' A' ' 950' ' ' PRO . 79.7 t -55.89 -43.41 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.504 -176.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -63.62 -49.65 72.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.989 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 955' ' ' SER . . . . . 0.4 ' O ' HG21 ' A' ' 959' ' ' VAL . 20.3 m -65.74 -39.89 91.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.039 -178.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . 0.571 ' SG ' ' HB3' ' A' ' 935' ' ' ALA . 73.2 m -58.15 -47.53 83.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.808 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.548 ' HZ3' ' HB2' ' A' ' 957' ' ' LYS . 10.0 mtmp? -67.09 -30.42 70.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.759 0.314 . . . . 0.0 110.395 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -70.24 -48.18 58.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.617 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.434 ' O ' HG13 ' A' ' 963' ' ' ILE . 92.5 t -61.67 -37.22 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.653 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.98 -22.91 64.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.694 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -83.32 -24.11 32.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.836 0.351 . . . . 0.0 111.124 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . 0.437 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 15.9 mm100 -88.4 -23.77 23.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.151 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 925' ' ' ALA . 76.6 mt -55.72 -54.82 47.53 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . 0.447 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.3 Cg_endo -59.25 -33.16 97.93 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.011 1.807 . . . . 0.0 112.0 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.93 -39.13 90.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.514 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.643 ' O ' HG21 ' A' ' 970' ' ' VAL . 82.0 mt -60.17 -59.95 4.6 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.021 175.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 40.6 t -61.1 -40.1 84.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.569 -174.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -60.6 -40.38 91.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.146 0.498 . . . . 0.0 109.718 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.94 -43.46 91.28 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.742 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.643 HG21 ' O ' ' A' ' 966' ' ' LEU . 25.0 t -59.77 -46.28 93.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.91 0.385 . . . . 0.0 110.537 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -67.44 -26.19 66.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.621 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -68.42 -38.12 86.58 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 173.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 42.4 t -68.59 -32.72 72.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 109.883 174.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.51 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 76.6 mt-30 -65.39 -32.63 74.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.37 175.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -73.42 -59.31 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.576 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -139.96 95.36 8.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.473 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.87 -17.37 29.0 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 122.552 2.168 . . . . 0.0 112.581 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -92.76 0.65 57.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.963 0.411 . . . . 0.0 110.399 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 29.6 t -92.67 119.24 68.04 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.437 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -61.42 -33.34 88.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.252 . . . . 0.0 111.848 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 32.8 m -62.1 -34.39 76.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -79.68 -42.59 24.41 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.614 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -65.76 -47.18 76.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.478 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 63.8 mt -60.65 -33.48 72.88 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.629 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.65 96.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.907 0.385 . . . . 0.0 110.482 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.97 -51.1 43.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.81 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . 0.512 HD11 ' HA ' ' A' 1042 ' ' GLN . 88.3 mt -58.06 -52.44 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.465 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.03 96.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.049 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -62.68 -36.32 82.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.971 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.523 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 31.5 m -69.22 -44.37 72.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.997 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . 0.5 ' HA ' HD13 ' A' ' 994' ' ' LEU . 97.5 mt-30 -64.58 -40.04 94.83 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.258 0.551 . . . . 0.0 110.398 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 11.1 t -73.1 -14.27 61.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.343 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.558 ' HZ ' ' HB1' ' A' ' 928' ' ' ALA . 83.1 t80 -88.41 -33.8 17.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.141 177.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 990' ' ' SER . 88.1 mt -56.12 -46.2 79.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.618 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.438 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.2 tp-100 -57.17 -60.18 10.44 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -176.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . 0.699 ' HA ' ' HG2' ' A' ' 999' ' ' LYS . 55.8 Cg_endo -71.99 -29.5 14.9 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.348 1.365 . . . . 0.0 112.351 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.492 ' O ' HG22 ' A' 1001 ' ' VAL . . . -63.25 -51.18 56.91 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.581 177.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -63.69 -36.69 93.66 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.683 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . 0.699 ' HG2' ' HA ' ' A' ' 996' ' ' PRO . 4.2 ptpp? -72.84 -21.12 61.0 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.801 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 56.2 ttp -83.02 -32.7 26.77 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 997' ' ' GLY . 96.3 t -59.32 -51.04 77.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.01 174.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.83 96.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.114 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -59.52 -44.03 93.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.56 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' 1008 ' ' VAL . . . -61.33 -47.51 85.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.931 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 97.5 mttt -57.76 -36.78 72.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.699 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -79.76 -23.06 42.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.501 -176.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1007 ' ' SER . . . . . 0.499 ' O ' HG13 ' A' 1011 ' ' ILE . 69.7 m -85.05 -21.81 29.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.257 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' 1004 ' ' ALA . 78.5 t -51.84 -57.4 14.93 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1009 ' ' PRO . . . . . 0.487 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 59.3 Cg_endo -72.1 -13.17 28.57 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 121.963 1.775 . . . . 0.0 113.434 -176.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 22.8 p -91.88 -14.89 28.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.328 . . . . 0.0 111.598 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.584 HG22 ' HB2' ' A' 1016 ' ' SER . 75.7 mt -84.42 141.24 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.306 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1012 ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' 1012 ' ' GLN . 1.0 OUTLIER -84.42 -41.85 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -65.54 113.73 4.39 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.295 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.488 ' NE2' ' H ' ' A' 1014 ' ' GLN . 0.7 OUTLIER -65.86 -31.32 72.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.992 -175.286 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -67.82 -37.34 81.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.528 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1016 ' ' SER . . . . . 0.584 ' HB2' HG22 ' A' 1011 ' ' ILE . 7.2 m -65.38 -43.66 90.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.894 177.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.479 ' HB3' HG11 ' A' 1008 ' ' VAL . . . -64.28 -46.51 83.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.182 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1018 ' ' MET . . . . . 0.454 ' HG3' ' O ' ' A' 1014 ' ' GLN . 67.2 mtt -60.72 -47.87 84.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -61.73 -44.32 97.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.813 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.59 HD22 ' HA ' ' A' ' 935' ' ' ALA . 12.8 mt -59.99 -52.48 65.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.758 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 26.0 t -59.02 -38.19 78.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.876 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -70.67 -48.67 53.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.018 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 77.2 m -63.4 -44.99 93.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.213 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.14 -31.71 72.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.15 0.5 . . . . 0.0 110.86 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -66.46 -48.05 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.126 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -68.72 -39.05 80.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.941 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1027 ' ' LEU . . . . . 0.469 ' O ' ' HG ' ' A' 1031 ' ' LEU . 63.3 tp -64.11 -37.91 89.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.057 176.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -60.26 -46.88 93.46 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.277 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 5.6 m -68.86 -33.62 74.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.982 0.42 . . . . 0.0 110.568 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1030 ' ' ALA . . . . . 0.525 ' HB2' ' HA ' ' A' ' 924' ' ' ALA . . . -61.53 -43.54 98.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.076 176.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1031 ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' 1027 ' ' LEU . 91.0 mt -67.94 -36.45 80.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.413 175.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.5 88.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.449 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.93 -55.46 19.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.217 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1034 ' ' LEU . . . . . 0.439 HD22 ' HB3' ' A' ' 990' ' ' SER . 6.8 mt -50.8 -56.46 12.02 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.674 0.609 . . . . 0.0 112.119 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1035 ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' 1035 ' ' ARG . 42.7 ttp180 -52.62 -48.33 66.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.625 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1036 ' ' THR . . . . . 0.428 HG22 ' HE2' ' A' 1040 ' ' LYS . 27.6 m -71.26 -43.23 67.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.009 0.433 . . . . 0.0 111.168 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.93 61.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.192 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -65.78 -33.74 76.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.045 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1039 ' ' GLN . . . . . 0.444 ' O ' ' HG2' ' A' 1043 ' ' GLU . 25.0 tp60 -62.09 -53.44 55.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.729 0.3 . . . . 0.0 110.518 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1040 ' ' LYS . . . . . 0.428 ' HE2' HG22 ' A' 1036 ' ' THR . 58.2 mtmt -69.55 -34.46 74.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.217 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -71.64 -31.14 66.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 111.189 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1042 ' ' GLN . . . . . 0.512 ' HA ' HD11 ' A' ' 987' ' ' ILE . 24.2 tm0? -66.64 -39.2 88.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.107 0.48 . . . . 0.0 110.154 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1043 ' ' GLU . . . . . 0.444 ' HG2' ' O ' ' A' 1039 ' ' GLN . 9.3 pt-20 -94.11 15.02 18.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.907 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1044 ' ' ALA . . . . . 0.403 ' HB1' HD11 ' A' ' 913' ' ' LEU . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.681 -0.676 . . . . 0.0 109.909 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 112.044 -0.422 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . 0.641 HD13 ' HA ' ' A' ' 916' ' ' ARG . 9.6 tt -131.12 137.95 54.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.243 0.544 . . . . 0.0 111.095 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -129.07 126.43 23.11 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 174.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -72.27 78.06 1.96 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.216 1.944 . . . . 0.0 112.81 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . 0.676 ' HD2' ' HG2' ' A' ' 915' ' ' GLN . 94.6 m-85 -68.66 -57.71 5.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.62 173.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 81.2 p -125.75 177.96 5.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.283 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' 1041 ' ' ALA . 88.9 mt -69.21 -40.06 78.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.699 178.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 27.4 m -77.95 -25.05 14.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.664 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . 0.676 ' HG2' ' HD2' ' A' ' 911' ' ' PHE . 6.5 tp-100 -63.48 -43.37 97.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 0.0 110.683 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . 0.641 ' HA ' HD13 ' A' ' 908' ' ' ILE . 16.1 ptm180 -72.71 -24.66 61.03 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.158 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.92 -52.8 25.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.807 175.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -50.16 -54.98 17.04 Favored 'General case' 0 N--CA 1.462 0.151 0 O-C-N 123.361 0.413 . . . . 0.0 111.47 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -66.15 -32.63 74.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.98 -175.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -75.62 -43.64 46.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.911 0.386 . . . . 0.0 110.743 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.62 88.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.31 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -55.45 -53.88 50.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.083 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -67.97 -31.36 71.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.622 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.23 -50.33 66.24 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 176.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . 0.678 ' HB2' HD11 ' A' ' 966' ' ' LEU . . . -61.15 -41.6 97.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.748 178.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.58 -48.69 71.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.168 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 18.7 t -65.78 -34.53 78.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.333 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.31 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 174.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 49.0 m -59.3 -43.67 92.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.26 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -61.06 -45.82 93.18 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.577 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 931' ' ' THR . . . . . 0.596 ' HB ' ' HE2' ' A' 1000 ' ' MET . 23.7 m -64.03 -39.24 93.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.798 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.621 HG23 ' SG ' ' A' ' 956' ' ' CYS . 52.6 mt -59.76 -48.56 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.805 0.336 . . . . 0.0 110.575 176.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . 0.404 ' O ' ' HD2' ' A' ' 937' ' ' HIS . . . -60.07 -48.54 81.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.518 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.09 98.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.84 75.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.358 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -70.07 -25.11 63.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.473 -176.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . 0.404 ' HD2' ' O ' ' A' ' 933' ' ' ALA . 64.8 m-70 -86.33 -59.72 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.732 0.301 . . . . 0.0 111.393 178.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -65.96 -37.91 87.21 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -170.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . 0.479 ' C ' ' H ' ' A' ' 941' ' ' ALA . . . -81.4 -4.81 56.87 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.156 -0.217 . . . . 0.0 111.393 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 24.9 t 71.62 -31.98 0.24 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.418 0.687 . . . . 0.0 111.799 178.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 939' ' ' ALA . . . 72.59 126.21 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.338 0 C-N-CA 123.908 0.883 . . . . 0.0 111.132 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -56.37 144.17 83.9 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.953 2.435 . . . . 0.0 112.229 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -83.47 -51.94 6.93 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.526 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -140.01 105.23 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.576 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 39.1 t -131.72 156.34 46.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.06 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -123.08 8.64 9.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 179.0 -76.76 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.342 -0.933 . . . . 0.0 113.068 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -55.23 104.46 0.12 Allowed 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 123.318 2.678 . . . . 0.0 113.277 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . 0.454 ' C ' ' H ' ' A' ' 951' ' ' LEU . 15.7 mm100 -118.98 154.25 53.08 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.453 177.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.44 30.19 0.23 Allowed 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 123.21 2.606 . . . . 0.0 113.187 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.454 ' H ' ' C ' ' A' ' 949' ' ' GLN . 14.8 tp 68.99 -55.79 0.55 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.811 0.844 . . . . 0.0 112.111 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 28.8 mt -41.4 -45.42 3.1 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . 0.437 HG11 HE21 ' A' ' 949' ' ' GLN . 44.6 t -58.32 -39.29 73.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.021 0.438 . . . . 0.0 111.366 -177.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -77.45 -46.32 22.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.012 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 955' ' ' SER . . . . . 0.447 ' O ' HG22 ' A' ' 959' ' ' VAL . 11.9 m -61.08 -41.19 96.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.667 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . 0.621 ' SG ' HG23 ' A' ' 932' ' ' ILE . 36.3 t -55.56 -44.49 76.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.948 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.79 -44.19 86.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.636 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -62.46 -47.24 84.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.037 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.535 ' O ' HG13 ' A' ' 963' ' ' ILE . 89.6 t -64.03 -42.34 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -57.96 -28.29 64.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.45 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -82.0 -27.6 33.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . 0.88 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 84.2 mm-40 -88.36 -33.38 17.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.042 -175.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 959' ' ' VAL . 78.5 mt -48.11 -54.59 23.53 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . 0.48 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 11.6 Cg_endo -56.02 -46.17 33.1 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.146 1.897 . . . . 0.0 112.344 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.92 -35.66 80.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.145 0.498 . . . . 0.0 110.344 -177.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.678 HD11 ' HB2' ' A' ' 925' ' ' ALA . 2.1 tm? -67.47 -47.19 70.82 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.909 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 71.7 t -68.41 -39.63 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.101 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . 0.411 ' OE1' ' HA ' ' A' ' 968' ' ' GLN . 15.9 mm-40 -64.92 -27.29 68.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 110.183 175.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.5 -44.9 89.05 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 173.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.478 ' O ' ' HG3' ' A' ' 974' ' ' GLN . 38.6 t -59.49 -52.15 64.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.017 0.437 . . . . 0.0 110.327 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 971' ' ' ARG . 36.5 mtp85 -68.52 -24.09 64.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.191 -177.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.64 -40.67 98.86 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.511 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 34.6 t -69.67 -25.49 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.295 0.569 . . . . 0.0 110.218 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.478 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 80.2 mt-30 -81.06 -34.54 32.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.462 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -77.03 -34.18 57.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.631 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -122.4 89.77 49.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.402 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.24 -60.87 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.611 2.874 . . . . 0.0 113.683 -172.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -120.5 71.91 0.94 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.604 0.716 . . . . 0.0 110.716 -175.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 51.0 m -130.17 120.63 19.24 Favored Pre-proline 0 N--CA 1.443 -0.788 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.89 176.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -49.71 -41.54 45.71 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.295 2.663 . . . . 0.0 112.303 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 10.7 p -59.08 -50.91 72.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.983 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.24 86.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.183 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 987' ' ' ILE . 1.9 mp0 -58.04 -51.14 70.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.961 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 987' ' ' ILE . 37.6 tp -66.66 -29.29 69.27 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.058 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.63 97.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.38 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 3.1 tt -66.87 -45.32 78.44 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . 0.593 HG22 ' HB2' ' A' 1042 ' ' GLN . 81.5 mt -57.37 -49.89 78.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.816 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.59 98.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.07 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . 0.406 ' HB1' ' HA ' ' A' ' 966' ' ' LEU . . . -61.7 -41.23 97.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.861 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.66 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.2 m -58.63 -49.16 78.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.666 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . 0.719 ' HA ' HD12 ' A' ' 994' ' ' LEU . 65.6 mt-30 -68.55 -35.01 76.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.613 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 24.2 t -66.59 -22.87 66.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.532 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.495 ' CG ' ' HG ' ' A' ' 966' ' ' LEU . 45.9 t80 -88.4 -29.2 20.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.577 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.719 HD12 ' HA ' ' A' ' 991' ' ' GLN . 69.0 mt -63.64 -41.96 98.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.622 -178.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.793 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.5 tp60 -57.26 -60.96 8.08 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.852 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . 0.88 ' HG2' ' HG3' ' A' ' 962' ' ' GLN . 12.0 Cg_exo -70.45 -38.69 5.97 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 121.938 1.759 . . . . 0.0 111.878 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.516 ' O ' HG22 ' A' 1001 ' ' VAL . . . -60.42 -50.62 65.59 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.242 -178.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.66 -35.49 91.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.097 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -69.73 -32.69 71.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.475 0.179 . . . . 0.0 111.114 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1000 ' ' MET . . . . . 0.596 ' HE2' ' HB ' ' A' ' 931' ' ' THR . 47.1 ttp -74.2 -31.32 62.6 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 997' ' ' GLY . 71.2 t -62.03 -50.64 79.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 172.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -58.52 -42.37 87.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.86 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1003 ' ' ALA . . . . . 0.448 ' HB2' ' HG ' ' A' ' 951' ' ' LEU . . . -63.09 -48.29 79.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.152 178.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.602 ' O ' HG21 ' A' 1008 ' ' VAL . . . -58.63 -51.13 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.061 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.62 -29.35 70.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.599 -178.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -80.62 -24.72 38.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.992 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1007 ' ' SER . . . . . 0.582 ' O ' HG13 ' A' 1011 ' ' ILE . 32.6 t -85.12 -23.95 28.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.566 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.602 HG21 ' O ' ' A' 1004 ' ' ALA . 69.2 t -51.51 -53.74 46.74 Favored Pre-proline 0 CA--C 1.541 0.606 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.99 -14.66 29.31 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 121.762 1.641 . . . . 0.0 113.06 -177.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 25.4 p -95.42 -1.0 51.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.949 0.404 . . . . 0.0 111.38 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.582 HG13 ' O ' ' A' 1007 ' ' SER . 83.5 mt -90.61 135.88 25.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -76.54 -35.63 58.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.039 0.447 . . . . 0.0 110.554 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -83.9 108.79 17.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.354 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.1 -26.29 63.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.77 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1015 ' ' ALA . . . . . 0.427 ' O ' ' HG2' ' A' 1018 ' ' MET . . . -67.34 -38.54 85.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.251 0.548 . . . . 0.0 109.892 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 41.3 m -72.69 -34.36 67.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.361 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.531 ' HB1' HG11 ' A' 1008 ' ' VAL . . . -63.95 -44.47 92.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.029 177.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1018 ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' 1015 ' ' ALA . 26.6 ptm -68.85 -25.45 64.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.342 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -65.79 -46.46 78.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.105 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.69 -42.5 95.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.862 175.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 26.0 t -60.85 -43.27 98.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.88 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -60.23 -48.17 82.86 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.794 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 61.7 m -64.23 -47.58 79.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.014 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.26 83.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.421 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.83 -45.93 90.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.489 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -67.07 -52.6 40.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.793 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.12 -47.39 78.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.33 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.84 -40.04 96.21 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.766 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 22.0 m -75.79 -35.8 59.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.983 0.42 . . . . 0.0 110.559 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.7 -48.1 82.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.29 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1031 ' ' LEU . . . . . 0.474 HD22 HD21 ' A' ' 994' ' ' LEU . 94.6 mt -66.09 -32.06 73.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.575 177.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.44 74.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.127 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.35 -22.15 30.66 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.324 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 57.7 tp -66.63 -46.18 76.64 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 174.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -61.49 -40.15 93.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.296 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 47.2 m -63.8 -47.51 80.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.693 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1037 ' ' ALA . . . . . 0.415 ' HB1' ' HG3' ' A' ' 916' ' ' ARG . . . -65.1 -46.25 81.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.678 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.42 82.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.009 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1039 ' ' GLN . . . . . 0.639 ' O ' ' HG2' ' A' 1043 ' ' GLU . 52.0 tp60 -62.79 -52.62 62.48 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 67.9 mttm -56.49 -46.35 80.53 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.5 0.5 . . . . 0.0 111.661 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1041 ' ' ALA . . . . . 0.552 ' HA ' HD12 ' A' ' 913' ' ' LEU . . . -66.31 -25.95 67.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.438 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1042 ' ' GLN . . . . . 0.593 ' HB2' HG22 ' A' ' 987' ' ' ILE . 0.8 OUTLIER -85.22 -32.42 22.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.574 -179.492 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1043 ' ' GLU . . . . . 0.639 ' HG2' ' O ' ' A' 1039 ' ' GLN . 6.3 mm-40 -68.04 -34.24 76.09 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.15 0.5 . . . . 0.0 110.656 178.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.065 -177.389 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 112.077 -0.409 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 39.7 pt -70.79 156.4 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.723 0.297 . . . . 0.0 110.66 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -117.11 122.84 30.72 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 121.027 0.442 . . . . 0.0 110.934 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . 0.529 ' O ' ' HG2' ' A' ' 915' ' ' GLN . 58.0 Cg_endo -88.78 -154.77 0.05 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.249 2.633 . . . . 0.0 109.825 170.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -112.1 107.54 16.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.012 0.91 . . . . 0.0 110.548 173.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 40.3 p -101.39 -176.89 3.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.098 177.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.56 -40.14 78.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.965 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 10.9 m -85.64 -35.4 9.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 910' ' ' PRO . 5.8 tp-100 -57.17 -34.01 68.04 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.246 0.546 . . . . 0.0 110.612 -177.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -65.78 -36.17 82.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.621 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.89 -53.94 13.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.411 ' OE1' HD13 ' A' ' 986' ' ' LEU . 0.3 OUTLIER -49.09 -42.56 39.37 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.489 0.493 . . . . 0.0 111.46 176.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -75.07 -40.33 60.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.577 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.72 81.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.671 0.272 . . . . 0.0 111.053 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.08 95.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.956 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -57.72 -54.13 50.34 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.167 0.508 . . . . 0.0 110.615 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -69.93 -34.67 73.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.132 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.08 92.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.852 0.358 . . . . 0.0 110.306 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.19 89.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.425 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.04 -52.75 54.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.114 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 56.6 m -61.5 -36.43 80.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.408 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . 0.429 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -62.35 -43.38 98.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.769 0.319 . . . . 0.0 110.25 175.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 36.3 m -60.83 -41.48 95.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.6 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -60.66 -46.17 91.35 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.056 0.455 . . . . 0.0 110.589 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 21.6 m -66.15 -38.79 88.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.096 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.89 -44.9 99.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 120.857 0.361 . . . . 0.0 110.827 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.38 -45.93 90.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.765 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -67.89 -42.09 81.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.003 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.529 ' HA ' HD23 ' A' 1020 ' ' LEU . . . -56.24 -46.47 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.667 -178.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . 0.435 ' O ' ' HB2' ' A' ' 940' ' ' SER . 48.3 mt-30 -65.16 -42.94 93.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.439 -178.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -77.17 -29.56 54.54 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -90.29 -55.64 3.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -177.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . 0.536 ' HB2' HD13 ' A' ' 952' ' ' LEU . . . -75.65 -44.23 43.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.68 0.276 . . . . 0.0 111.606 -174.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' A' ' 936' ' ' GLN . 41.5 m -87.17 -8.53 56.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.455 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . 67.86 154.76 0.14 Allowed Pre-proline 0 CA--C 1.53 0.187 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.818 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.62 11.33 1.65 Allowed 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 122.984 2.456 . . . . 0.0 112.514 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -139.91 -74.84 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.164 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -152.64 144.57 23.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 39.8 p -73.05 155.69 39.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -120.13 116.89 26.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 105.11 -146.79 16.13 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.87 -170.9 0.99 Allowed 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.521 2.148 . . . . 0.0 111.46 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . 0.46 ' HA ' ' HD3' ' A' ' 950' ' ' PRO . 2.3 mp0 -75.71 133.82 73.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 949' ' ' GLN . 4.9 Cg_exo -77.34 18.46 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.824 2.349 . . . . 0.0 114.093 -170.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 70.0 -46.04 0.59 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.238 0.615 . . . . 0.0 111.986 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . 0.536 HD13 ' HB2' ' A' ' 939' ' ' ALA . 68.3 mt -52.94 -32.12 43.98 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 122.909 0.484 . . . . 0.0 112.037 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 7.9 p -58.76 -42.73 86.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.338 0.589 . . . . 0.0 110.711 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -69.59 -46.52 66.14 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.366 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 955' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 959' ' ' VAL . 14.2 m -61.75 -42.87 99.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.079 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 34.5 t -53.21 -43.88 67.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.364 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.24 -39.7 95.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.003 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . 0.504 ' O ' ' HG2' ' A' ' 961' ' ' GLU . . . -76.94 -32.16 57.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.226 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 963' ' ' ILE . 91.1 t -70.72 -44.89 76.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.009 0.433 . . . . 0.0 110.164 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -63.18 -22.32 66.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.305 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.519 ' HG3' ' HG2' ' A' ' 962' ' ' GLN . 13.3 pt-20 -85.44 -22.81 28.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.729 0.3 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . 0.745 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 88.3 mm-40 -99.37 -21.09 16.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.746 -174.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 959' ' ' VAL . 70.3 mt -55.45 -52.65 69.95 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 176.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 16.6 Cg_endo -58.28 -36.63 97.51 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.001 1.801 . . . . 0.0 112.105 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.53 -36.65 84.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.918 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.586 ' O ' HG21 ' A' ' 970' ' ' VAL . 93.5 mt -57.29 -55.75 30.78 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.061 0.458 . . . . 0.0 109.894 173.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.17 -36.33 77.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.398 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -60.49 -40.74 92.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.177 0.513 . . . . 0.0 109.698 173.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.11 -47.83 81.34 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.578 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.586 HG21 ' O ' ' A' ' 966' ' ' LEU . 62.0 t -56.37 -49.74 75.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.473 0.178 . . . . 0.0 110.965 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -59.39 -36.77 76.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.664 0.269 . . . . 0.0 111.289 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -71.95 -43.76 48.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.927 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 69.4 m -69.66 -28.74 66.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.882 0.372 . . . . 0.0 111.468 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -77.1 -32.26 56.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -77.02 -43.09 35.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.575 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -126.68 84.1 63.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.31 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.48 -7.63 19.77 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.526 2.15 . . . . 0.0 111.134 173.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -82.36 -37.05 26.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.448 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 43.9 t -72.89 115.02 35.98 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.082 -174.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . 0.407 ' O ' HD22 ' A' ' 984' ' ' LEU . 25.6 Cg_exo -62.63 -33.82 76.36 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.457 2.104 . . . . 0.0 110.818 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 30.6 m -67.96 -27.87 66.97 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.872 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -67.49 -55.75 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . 0.559 ' O ' HG13 ' A' ' 987' ' ' ILE . 5.4 mp0 -56.11 -49.53 73.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.17 176.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . 0.407 HD22 ' O ' ' A' ' 980' ' ' PRO . 3.7 mm? -56.71 -37.22 70.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.376 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.01 99.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.707 0.289 . . . . 0.0 110.641 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . 0.411 HD13 ' OE1' ' A' ' 918' ' ' GLU . 0.7 OUTLIER -68.81 -42.12 77.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . 0.559 HG13 ' O ' ' A' ' 983' ' ' GLN . 78.7 mt -55.94 -48.26 78.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.371 176.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -64.09 -44.25 92.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.822 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.98 88.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.188 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.577 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 48.3 m -62.21 -46.56 88.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . 0.697 ' HA ' HD12 ' A' ' 994' ' ' LEU . 79.7 mt-30 -67.22 -34.66 77.96 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.224 0.535 . . . . 0.0 110.44 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 45.2 t -66.66 -24.15 66.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.417 176.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.429 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 87.5 t80 -90.65 -29.48 17.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.732 178.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 991' ' ' GLN . 91.2 mt -54.63 -45.1 73.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.63 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.851 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.4 tp-100 -59.29 -62.18 6.36 Favored Pre-proline 0 CA--C 1.544 0.733 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.163 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . 0.851 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 32.3 Cg_exo -60.35 -41.06 52.93 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.348 2.032 . . . . 0.0 112.598 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.442 ' O ' HG21 ' A' 1001 ' ' VAL . . . -61.28 -47.75 89.2 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.045 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.58 -30.04 73.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.149 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . 0.566 ' HD2' ' HA ' ' A' ' 996' ' ' PRO . 65.8 mttm -61.76 -47.33 85.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.648 0.261 . . . . 0.0 110.371 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 47.5 ttp -71.63 -32.29 67.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.572 -175.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 997' ' ' GLY . 87.5 t -61.14 -48.78 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.96 0.41 . . . . 0.0 110.207 175.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.13 81.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.872 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.14 89.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.284 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.563 ' O ' HG23 ' A' 1008 ' ' VAL . . . -61.57 -46.96 87.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 0.0 110.613 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.76 -24.79 67.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.166 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -90.92 -13.26 33.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.194 -178.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 31.9 t -102.38 2.39 36.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.055 0.455 . . . . 0.0 110.489 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' 1017 ' ' ALA . 78.4 t -71.06 -56.63 5.44 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.32 176.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1009 ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' 1008 ' ' VAL . 35.5 Cg_endo -64.77 -20.45 64.88 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.132 1.888 . . . . 0.0 113.02 -176.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 34.7 p -77.65 -10.57 59.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.052 0.453 . . . . 0.0 111.041 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.616 HG21 ' HB2' ' A' 1016 ' ' SER . 73.1 mt -95.16 111.72 26.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.142 0.496 . . . . 0.0 110.413 178.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1012 ' ' GLN . . . . . 0.501 ' NE2' ' H ' ' A' 1012 ' ' GLN . 0.9 OUTLIER -84.09 16.05 3.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.148 -178.7 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1013 ' ' ASP . . . . . 0.533 ' H ' HG22 ' A' 1011 ' ' ILE . 3.8 m-20 -96.48 -17.28 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.536 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 26.0 mp0 64.28 -56.77 0.24 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.761 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1015 ' ' ALA . . . . . 0.431 ' O ' ' HG3' ' A' 1018 ' ' MET . . . -64.29 -40.56 96.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.792 0.33 . . . . 0.0 111.388 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1016 ' ' SER . . . . . 0.616 ' HB2' HG21 ' A' 1011 ' ' ILE . 16.5 m -68.33 -25.04 64.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.179 0.514 . . . . 0.0 110.261 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.615 ' HB2' HG12 ' A' 1008 ' ' VAL . . . -77.95 -45.27 24.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.92 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1018 ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' 1015 ' ' ALA . 0.0 OUTLIER -66.13 -27.24 67.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.033 0.444 . . . . 0.0 110.054 178.339 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.78 -41.15 96.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.915 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.529 HD23 ' HA ' ' A' ' 935' ' ' ALA . 8.9 mt -66.45 -47.41 73.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.055 176.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 15.4 t -60.06 -40.38 89.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.704 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.29 -36.49 83.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.075 0.464 . . . . 0.0 110.875 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1023 ' ' CYS . . . . . 0.724 ' HA ' ' ND2' ' A' 1026 ' ' ASN . 81.2 m -75.68 -41.55 53.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.821 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.79 75.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.372 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -63.2 -57.95 8.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.929 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1026 ' ' ASN . . . . . 0.724 ' ND2' ' HA ' ' A' 1023 ' ' CYS . 5.9 p30 -66.85 -34.0 76.84 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.055 -174.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 64.2 tp -72.18 -37.91 69.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.815 0.34 . . . . 0.0 110.214 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -60.65 -46.24 94.82 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.129 -0.557 . . . . 0.0 112.038 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 17.4 m -71.19 -32.61 69.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.677 0.275 . . . . 0.0 110.532 177.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.22 82.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.972 0.415 . . . . 0.0 110.138 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.32 -34.9 79.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.47 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.8 -55.02 40.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.963 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -73.21 -30.85 63.8 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.937 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 64.0 tp -62.28 -51.05 69.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.996 0.427 . . . . 0.0 110.182 175.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -62.99 -41.1 99.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.564 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 33.4 m -63.63 -41.18 98.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.961 0.41 . . . . 0.0 110.55 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.75 -48.12 75.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.22 -37.9 87.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -48.95 79.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.093 0.473 . . . . 0.0 110.007 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1040 ' ' LYS . . . . . 0.405 ' HZ2' ' HB2' ' A' 1040 ' ' LYS . 9.2 mtmp? -80.66 -6.09 57.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.967 -178.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -87.7 -27.86 22.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.107 0.48 . . . . 0.0 110.109 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -65.56 -37.12 85.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.113 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -89.74 9.57 26.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.132 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.347 -0.835 . . . . 0.0 109.939 177.651 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 13.7 tt -97.27 146.11 8.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.897 0.379 . . . . 0.0 110.282 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 910' ' ' PRO . 29.2 t70 -131.52 125.43 20.64 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.665 178.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . 0.83 ' HB3' ' HB3' ' A' ' 916' ' ' ARG . 2.7 Cg_exo -75.46 86.05 1.51 Allowed 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.656 2.238 . . . . 0.0 111.408 175.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -58.81 -61.75 2.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.188 0.518 . . . . 0.0 109.952 177.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 67.8 p -106.7 172.05 7.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.13 177.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.551 HD12 ' HB1' ' A' 1044 ' ' ALA . 96.9 mt -69.4 -35.12 75.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.78 0.324 . . . . 0.0 110.453 178.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . 0.434 HG12 ' HG3' ' A' ' 983' ' ' GLN . 34.1 m -74.33 -22.26 17.84 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.679 176.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -67.37 -40.29 85.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.977 0.418 . . . . 0.0 110.65 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . 0.83 ' HB3' ' HB3' ' A' ' 910' ' ' PRO . 19.5 ptp180 -72.68 -25.48 61.27 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . 0.403 ' HB3' HD21 ' A' ' 986' ' ' LEU . 19.3 mt -72.62 -41.41 65.57 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.61 174.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.628 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 19.9 mm-40 -44.8 -66.03 0.45 Allowed 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 123.77 0.669 . . . . 0.0 111.296 178.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -56.61 -43.65 80.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.167 -176.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.98 93.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.301 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.71 82.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.291 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . 0.628 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 42.0 mttm -60.76 -42.65 97.86 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -63.29 -53.31 54.88 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.746 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . 0.436 ' HB3' ' CE2' ' A' ' 993' ' ' PHE . . . -51.61 -48.02 63.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.004 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.16 94.79 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.958 0.409 . . . . 0.0 111.102 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.68 -56.24 17.25 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.467 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 9.1 t -67.49 -32.54 73.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.916 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . 0.578 ' HB3' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.09 -45.16 95.84 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.799 0.333 . . . . 0.0 110.63 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 25.7 m -59.39 -39.7 84.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.186 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 930' ' ' GLN . 15.2 mm-40 -67.79 -44.52 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.114 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 931' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' 1023 ' ' CYS . 21.1 m -63.43 -40.96 98.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 928' ' ' ALA . 75.9 mt -61.86 -44.77 99.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.74 0.305 . . . . 0.0 110.456 177.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.09 -45.39 93.1 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.133 0.492 . . . . 0.0 110.768 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.93 82.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.939 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.451 ' HA ' HD23 ' A' 1020 ' ' LEU . . . -62.58 -49.98 73.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.581 -177.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . 0.423 ' HA ' ' OE1' ' A' ' 936' ' ' GLN . 16.1 mm-40 -64.32 -28.94 70.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.738 -177.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -87.56 -24.55 23.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.888 0.375 . . . . 0.0 111.184 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . 0.479 ' HB2' HD12 ' A' 1011 ' ' ILE . . . -79.45 -25.9 41.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.085 0.469 . . . . 0.0 110.64 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -78.88 86.96 4.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.009 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 14.3 p -78.96 -9.04 59.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.748 174.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . 0.44 ' HA ' ' HD2' ' A' ' 942' ' ' PRO . . . 59.78 90.98 0.08 OUTLIER Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 114.605 -1.18 . . . . 0.0 112.01 176.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . 0.76 ' HB2' ' HB3' ' A' ' 945' ' ' SER . 12.2 Cg_endo -57.52 114.65 2.04 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.396 2.064 . . . . 0.0 110.229 172.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . 0.519 ' HD2' ' N ' ' A' ' 943' ' ' LYS . 11.7 mptt -59.38 -32.23 69.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.735 -165.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -112.25 1.36 16.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.715 0.293 . . . . 0.0 111.679 -177.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 945' ' ' SER . . . . . 0.76 ' HB3' ' HB2' ' A' ' 942' ' ' PRO . 28.3 t -113.9 -30.87 6.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.868 0.366 . . . . 0.0 111.105 -176.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -87.67 131.1 34.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.776 0.322 . . . . 0.0 110.415 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . -104.22 178.09 24.34 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.685 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.75 125.27 18.08 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.894 2.396 . . . . 0.0 112.47 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 64.28 83.04 0.2 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.322 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -67.85 154.31 73.32 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.733 2.289 . . . . 0.0 110.98 172.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.775 HD13 ' HB2' ' A' 1003 ' ' ALA . 0.2 OUTLIER -57.46 -42.05 81.77 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.185 0.303 . . . . 0.0 111.149 -175.822 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.75 -56.81 17.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.731 0.3 . . . . 0.0 111.074 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . 0.53 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 48.5 t -63.6 -38.55 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.229 -176.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.1 -50.16 71.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.51 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 17.6 m -69.5 -39.11 77.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.462 -177.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . 0.53 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 17.2 p -63.16 -29.58 70.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.492 0.187 . . . . 0.0 111.05 -175.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 961' ' ' GLU . 54.8 mtmt -69.64 -42.98 73.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.753 0.311 . . . . 0.0 110.472 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.0 97.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.167 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 963' ' ' ILE . 94.9 t -64.87 -42.02 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.17 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.57 -23.85 64.98 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.43 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 66.0 mt-10 -82.96 -23.98 33.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.908 0.385 . . . . 0.0 110.631 178.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -91.42 -23.6 19.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.453 -173.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.703 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 70.9 mt -56.59 -54.42 53.77 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . 0.703 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 23.9 Cg_exo -64.78 -26.48 60.19 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 121.907 1.738 . . . . 0.0 111.948 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 68.0 mt -70.0 -43.39 71.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.665 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.638 ' O ' HG21 ' A' ' 970' ' ' VAL . 83.8 mt -54.23 -58.62 6.67 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.348 175.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.57 -32.43 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.141 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -60.82 -45.71 93.39 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.19 -46.51 90.77 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.996 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.638 HG21 ' O ' ' A' ' 966' ' ' LEU . 41.8 t -54.94 -61.79 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.537 178.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.1 -31.39 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.587 -177.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -72.38 -39.35 57.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.226 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 28.5 m -69.58 -31.49 69.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.925 0.393 . . . . 0.0 110.533 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.593 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 84.0 mt-30 -64.56 -46.34 83.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.335 174.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.87 71.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.404 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . 0.451 ' HB3' ' HB2' ' A' ' 979' ' ' SER . 48.8 mt-30 -123.71 84.03 53.86 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.981 -178.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -78.54 -15.64 13.74 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.904 2.403 . . . . 0.0 112.301 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -98.43 -37.19 9.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 979' ' ' SER . . . . . 0.451 ' HB2' ' HB3' ' A' ' 976' ' ' GLN . 18.3 m -68.3 114.77 23.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 -176.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -57.51 -32.87 95.41 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.4 2.733 . . . . 0.0 113.436 -175.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 10.0 t -65.42 -29.28 69.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.755 0.312 . . . . 0.0 110.418 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -71.11 -43.81 66.9 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . 0.434 ' HG3' HG12 ' A' ' 914' ' ' VAL . 2.0 mp0 -59.63 -49.68 76.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.117 175.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.06 -30.89 69.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.011 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -64.07 -49.79 70.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.622 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . 0.403 HD21 ' HB3' ' A' ' 917' ' ' LEU . 0.6 OUTLIER -62.97 -49.37 74.98 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.004 0.43 . . . . 0.0 110.092 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 983' ' ' GLN . 72.5 mt -60.23 -51.36 73.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.415 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.11 96.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.345 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.97 89.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.719 0.295 . . . . 0.0 110.844 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.512 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 45.9 m -60.28 -50.21 74.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.691 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . 0.467 ' HA ' HD13 ' A' ' 994' ' ' LEU . 95.7 mt-30 -65.08 -41.13 95.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.136 0.493 . . . . 0.0 110.647 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 35.9 t -67.91 -13.56 62.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.025 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.578 ' HZ ' ' HB3' ' A' ' 928' ' ' ALA . 80.3 t80 -96.23 -33.77 11.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.775 0.321 . . . . 0.0 110.59 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 990' ' ' SER . 94.5 mt -56.11 -51.01 69.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.022 -177.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.467 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 9.4 tp-100 -62.47 -56.34 31.14 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -174.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . 0.467 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 55.5 Cg_endo -71.74 -33.91 9.68 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.725 1.617 . . . . 0.0 112.266 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.471 ' O ' HG21 ' A' 1001 ' ' VAL . . . -64.2 -40.49 98.05 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.787 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.49 -32.55 81.56 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.174 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.06 -32.55 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.942 -0.152 . . . . 0.0 110.817 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1000 ' ' MET . . . . . 0.414 ' HE2' ' HB ' ' A' ' 931' ' ' THR . 46.5 ttp -76.83 -31.49 56.92 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.472 HG13 ' HE3' ' A' 1005 ' ' LYS . 59.6 t -63.83 -48.52 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.66 172.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.892 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1003 ' ' ALA . . . . . 0.775 ' HB2' HD13 ' A' ' 951' ' ' LEU . . . -61.62 -41.7 97.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.612 ' O ' HG22 ' A' 1008 ' ' VAL . . . -65.39 -46.54 79.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.684 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1005 ' ' LYS . . . . . 0.472 ' HE3' HG13 ' A' 1001 ' ' VAL . 98.6 mttt -60.56 -27.82 67.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.343 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -88.25 -24.78 23.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.715 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1007 ' ' SER . . . . . 0.458 ' O ' HG13 ' A' 1011 ' ' ILE . 7.0 p -87.77 -31.53 19.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -177.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' 1004 ' ' ALA . 69.4 t -49.97 -54.64 30.72 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.4 -21.32 40.98 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.79 1.66 . . . . 0.0 113.031 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 47.0 p -88.27 -18.7 28.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.701 0.286 . . . . 0.0 111.414 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.479 HD12 ' HB2' ' A' ' 938' ' ' ALA . 85.6 mt -90.69 119.8 38.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.073 0.463 . . . . 0.0 110.278 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -80.64 -15.87 55.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.131 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -78.45 107.84 11.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -67.71 -31.91 72.18 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.414 -173.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.6 93.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.038 0.447 . . . . 0.0 110.966 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1016 ' ' SER . . . . . 0.406 ' HB3' ' CB ' ' A' ' 938' ' ' ALA . 15.0 m -72.8 -46.31 53.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.56 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.72 -46.64 88.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.959 -176.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 90.1 mmm -70.1 -34.31 72.97 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.233 -0.187 . . . . 0.0 111.313 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -68.82 -38.26 79.74 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.505 -0.478 . . . . 0.0 109.776 177.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 935' ' ' ALA . 16.9 mt -61.42 -46.25 90.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.401 172.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 46.0 t -55.93 -45.16 78.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.577 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -60.59 -53.06 62.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.922 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1023 ' ' CYS . . . . . 0.447 ' HB3' ' OG1' ' A' ' 931' ' ' THR . 64.5 m -61.72 -48.98 78.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.135 -177.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.09 -29.04 70.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.872 0.367 . . . . 0.0 111.182 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -69.42 -52.4 27.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.23 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -67.33 -42.66 83.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.946 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1027 ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' 1031 ' ' LEU . 51.7 tp -62.21 -41.69 98.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.703 0.287 . . . . 0.0 110.418 178.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.08 -47.49 90.53 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.082 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 8.1 m -69.86 -33.48 72.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.843 0.354 . . . . 0.0 110.734 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -63.53 -40.45 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.865 0.364 . . . . 0.0 110.061 177.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1031 ' ' LEU . . . . . 0.454 HD23 HD23 ' A' ' 994' ' ' LEU . 94.8 mt -65.57 -36.62 84.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.068 174.416 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.76 92.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.353 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -82.2 -16.46 49.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.213 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 52.2 tp -83.14 -47.78 11.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.893 0.378 . . . . 0.0 110.555 177.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1035 ' ' ARG . . . . . 0.467 ' HA ' HD12 ' A' ' 994' ' ' LEU . 38.4 ttp180 -55.19 -52.75 62.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.184 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1036 ' ' THR . . . . . 0.47 ' O ' ' HG2' ' A' 1040 ' ' LYS . 7.0 m -62.94 -36.43 83.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.72 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1037 ' ' ALA . . . . . 0.439 ' HB2' ' HG3' ' A' ' 916' ' ' ARG . . . -67.61 -44.38 78.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.178 -178.508 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.8 76.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.58 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -62.43 -44.71 95.77 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.801 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1040 ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' 1036 ' ' THR . 72.4 mmtt -60.29 -47.39 86.24 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.795 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1041 ' ' ALA . . . . . 0.523 ' HA ' HD11 ' A' ' 913' ' ' LEU . . . -62.89 -22.77 66.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.191 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -92.15 -45.58 8.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.333 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1043 ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' 1040 ' ' LYS . 11.7 pt-20 -74.86 -31.54 61.66 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -172.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1044 ' ' ALA . . . . . 0.551 ' HB1' HD12 ' A' ' 913' ' ' LEU . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.78 -177.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 N-CA-C 111.635 -0.586 . . . . 0.0 111.635 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 64.1 mt -88.43 109.95 20.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . 0.493 ' HB3' ' HD2' ' A' ' 911' ' ' PHE . 30.7 m-20 -83.01 130.2 58.4 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.556 -176.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -86.63 9.18 4.1 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.752 2.301 . . . . 0.0 111.425 173.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . 0.493 ' HD2' ' HB3' ' A' ' 909' ' ' ASP . 92.4 m-85 -81.92 170.14 15.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.845 -176.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 3.6 t -71.29 162.44 29.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.543 0.687 . . . . 0.0 111.821 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.677 HD21 HH11 ' A' ' 916' ' ' ARG . 85.8 mt -60.35 -30.89 69.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.78 -177.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . 0.456 HG11 ' NE2' ' A' ' 983' ' ' GLN . 13.5 m -78.76 -24.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.941 -178.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -49.35 37.46 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . 0.677 HH11 HD21 ' A' ' 913' ' ' LEU . 8.4 ptp85 -62.26 -29.11 70.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.167 175.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . 0.674 HD22 HD22 ' A' ' 986' ' ' LEU . 0.9 OUTLIER -66.49 -51.75 53.43 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.398 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.541 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 54.1 mt-10 -51.11 -49.7 60.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.734 176.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -56.26 -37.71 70.15 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.144 -177.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -80.52 -37.46 31.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.161 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.55 -42.31 92.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.446 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . 0.541 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 80.8 mttt -60.94 -47.67 85.33 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.51 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -71.16 -32.07 68.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.021 -176.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.38 -46.98 77.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.935 0.398 . . . . 0.0 110.014 176.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . 0.412 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.4 -43.82 92.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.62 177.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.85 -52.72 48.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.312 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 6.3 t -62.35 -38.0 87.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.978 -175.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . 0.543 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -60.84 -42.78 98.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.703 177.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 29.4 m -62.3 -37.09 84.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.539 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -70.48 -38.24 74.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.357 178.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 931' ' ' THR . . . . . 0.409 HG23 ' SG ' ' A' 1023 ' ' CYS . 26.8 m -65.12 -41.68 94.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.258 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.731 HG23 ' SG ' ' A' ' 956' ' ' CYS . 73.8 mt -57.84 -48.57 83.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.595 176.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -55.71 -49.12 73.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.045 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.55 94.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.96 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.69 94.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.764 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . 0.428 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 92.0 mt-30 -70.3 -29.47 66.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.67 -177.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -86.71 -40.63 14.87 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . 0.557 ' HB2' HD13 ' A' 1011 ' ' ILE . . . -79.2 -43.85 23.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.651 0.262 . . . . 0.0 111.067 -178.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 940' ' ' SER . . . 58.83 -92.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 123.78 0.832 . . . . 0.0 112.261 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.679 ' HA ' HG12 ' A' 1011 ' ' ILE . 32.3 t 174.88 -29.68 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . 0.501 ' HA ' ' HB2' ' A' ' 946' ' ' ALA . . . -64.88 114.25 14.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -174.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . 0.666 ' HB3' ' HB2' ' A' 1012 ' ' GLN . 76.3 Cg_endo -80.96 -9.04 13.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.7 2.266 . . . . 0.0 112.348 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -146.58 -80.73 0.15 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.627 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -147.75 -70.29 0.23 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.353 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 9.1 m -65.25 94.08 0.15 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.582 -176.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . 0.501 ' HB2' ' HA ' ' A' ' 941' ' ' ALA . . . 175.75 -54.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.084 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 62.73 -171.34 11.53 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 114.953 -1.021 . . . . 0.0 113.16 178.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -75.59 126.57 9.68 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.821 2.347 . . . . 0.0 110.716 173.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' A' 1007 ' ' SER . 45.7 mt-30 -60.13 131.61 89.76 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.052 -177.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.04 -41.71 62.84 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.36 2.707 . . . . 0.0 112.924 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.405 ' HA ' HD22 ' A' ' 951' ' ' LEU . 0.8 OUTLIER -66.16 -39.46 89.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . 0.427 ' HA ' ' HB2' ' A' 1003 ' ' ALA . 59.2 tp -63.97 -45.92 86.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.334 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.77 -44.87 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -58.96 -51.09 71.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 18.1 p -66.11 -36.6 83.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.73 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . 0.731 ' SG ' HG23 ' A' ' 932' ' ' ILE . 38.6 t -55.61 -48.71 74.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 176.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 961' ' ' GLU . 99.1 mttt -71.49 -40.48 70.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.763 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -56.14 -48.33 76.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 963' ' ' ILE . 78.8 t -64.08 -41.74 93.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -58.24 -27.26 63.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.694 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 14.8 mm-40 -83.25 -26.47 30.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.131 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . 0.715 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 85.7 mm-40 -88.06 -26.49 22.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.331 -175.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.588 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 81.9 mt -52.67 -51.41 73.82 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . 0.588 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 32.3 Cg_exo -57.89 -30.37 89.39 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.127 1.885 . . . . 0.0 112.591 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 67.8 mt -68.3 -38.79 82.0 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.544 0.211 . . . . 0.0 110.768 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.598 ' O ' HG22 ' A' ' 970' ' ' VAL . 82.2 mt -57.24 -60.82 3.05 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.064 0.459 . . . . 0.0 110.085 175.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . 0.638 ' O ' ' HG2' ' A' ' 971' ' ' ARG . 93.7 t -58.97 -41.2 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.308 -176.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.62 -41.58 86.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.018 0.437 . . . . 0.0 110.078 176.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -65.96 -43.99 92.56 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.76 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 966' ' ' LEU . 46.6 t -56.8 -60.12 2.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.831 0.348 . . . . 0.0 110.619 178.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . 0.638 ' HG2' ' O ' ' A' ' 967' ' ' VAL . 10.8 ptp180 -63.85 -33.55 75.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.179 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -66.59 -38.51 93.37 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.137 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 92.6 p -74.1 -20.34 60.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.69 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.554 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 88.9 mt-30 -84.67 -31.83 23.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.476 176.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -66.16 -52.68 45.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.618 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -124.79 77.28 65.2 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.801 177.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -73.93 -14.42 23.88 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.413 2.075 . . . . 0.0 111.363 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.57 -16.53 61.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.962 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 45.7 t -102.68 117.56 60.51 Favored Pre-proline 0 N--CA 1.448 -0.563 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.409 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . 0.455 ' O ' ' HG3' ' A' ' 983' ' ' GLN . 28.3 Cg_endo -64.27 -32.59 61.77 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.397 2.065 . . . . 0.0 112.123 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 6.3 p -68.28 -23.45 64.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.83 0.348 . . . . 0.0 110.901 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -73.73 -39.15 64.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.572 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . 0.456 ' NE2' HG11 ' A' ' 914' ' ' VAL . 0.0 OUTLIER -77.33 -28.79 53.27 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.463 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . 0.564 HD12 HD13 ' A' ' 987' ' ' ILE . 2.6 mm? -65.66 -33.68 76.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.058 173.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.85 -30.3 71.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.461 175.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . 0.674 HD22 HD22 ' A' ' 917' ' ' LEU . 0.5 OUTLIER -68.78 -49.57 57.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.496 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . 0.564 HD13 HD12 ' A' ' 984' ' ' LEU . 68.0 mt -57.77 -49.49 80.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.079 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -56.37 -48.2 77.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.073 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.05 96.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.052 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.588 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 46.1 m -59.97 -50.02 75.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . 0.718 ' HA ' HD11 ' A' ' 994' ' ' LEU . 76.5 mt-30 -69.04 -30.57 68.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 26.7 t -68.54 -26.8 65.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.197 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.543 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 88.5 t80 -86.57 -33.92 20.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.862 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.718 HD11 ' HA ' ' A' ' 991' ' ' GLN . 89.8 mt -55.05 -42.09 72.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.613 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.813 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 49.0 tt0 -59.13 -62.13 6.45 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.994 -177.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . 0.813 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 14.2 Cg_exo -70.23 -35.28 11.54 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.945 1.763 . . . . 0.0 111.978 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.432 ' O ' HG22 ' A' 1001 ' ' VAL . . . -60.66 -46.16 94.99 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.147 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -63.97 -29.24 74.29 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.24 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -73.58 -32.58 64.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.522 0.201 . . . . 0.0 111.009 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1000 ' ' MET . . . . . 0.449 ' SD ' ' HA ' ' A' ' 956' ' ' CYS . 50.9 ttp -73.9 -30.21 62.48 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 997' ' ' GLY . 54.7 t -62.25 -46.9 95.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 173.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -63.92 -44.53 92.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.654 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1003 ' ' ALA . . . . . 0.427 ' HB2' ' HA ' ' A' ' 952' ' ' LEU . . . -61.52 -44.83 96.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.145 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.439 ' O ' HG22 ' A' 1008 ' ' VAL . . . -59.22 -48.22 82.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.944 0.402 . . . . 0.0 110.633 178.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -61.55 -33.47 73.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.153 178.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -79.92 -7.59 58.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.25 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1007 ' ' SER . . . . . 0.651 ' O ' HG13 ' A' 1011 ' ' ILE . 21.4 m -97.94 -25.74 14.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.063 0.459 . . . . 0.0 110.121 178.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.693 HG13 ' HB3' ' A' 1017 ' ' ALA . 82.2 t -51.56 -54.29 40.87 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.897 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1009 ' ' PRO . . . . . 0.436 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 81.9 Cg_endo -76.75 -8.71 18.16 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 121.925 1.75 . . . . 0.0 113.942 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 16.0 p -99.62 -18.96 17.07 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.706 -177.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.679 HG12 ' HA ' ' A' ' 940' ' ' SER . 76.7 mt -66.54 -32.04 56.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 120.941 0.401 . . . . 0.0 111.306 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1012 ' ' GLN . . . . . 0.666 ' HB2' ' HB3' ' A' ' 942' ' ' PRO . 15.4 mm100 60.57 29.12 18.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.092 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1013 ' ' ASP . . . . . 0.46 ' HB3' HG21 ' A' 1011 ' ' ILE . 27.5 t70 -138.5 109.28 6.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.252 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -52.4 -45.26 65.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.039 -175.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.91 -55.18 38.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.514 -177.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1016 ' ' SER . . . . . 0.481 ' HB2' HG23 ' A' 1011 ' ' ILE . 15.3 m -65.9 -35.65 81.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.889 0.376 . . . . 0.0 110.805 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.693 ' HB3' HG13 ' A' 1008 ' ' VAL . . . -63.69 -47.45 81.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.091 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 24.8 mmt -67.01 -30.09 70.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -63.36 -48.74 76.7 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.607 ' HA ' ' SG ' ' A' 1023 ' ' CYS . 13.9 mt -63.62 -39.88 95.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.147 177.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 42.4 t -59.24 -41.65 89.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.468 177.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.17 -48.95 69.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.365 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1023 ' ' CYS . . . . . 0.607 ' SG ' ' HA ' ' A' 1020 ' ' LEU . 25.8 p -66.01 -38.86 89.53 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.881 -177.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.41 72.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.933 0.397 . . . . 0.0 110.627 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -65.89 -49.94 66.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.909 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.16 -50.13 73.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.684 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.79 -38.46 88.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.811 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.71 -47.37 90.61 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.528 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.4 m -73.66 -33.25 64.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.911 0.386 . . . . 0.0 110.759 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.69 96.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.181 177.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1031 ' ' LEU . . . . . 0.455 HD22 HD23 ' A' ' 994' ' ' LEU . 96.1 mt -68.51 -33.93 75.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.605 176.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.3 -57.52 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.835 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.83 -20.08 50.51 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.979 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 67.7 tp -66.11 -48.1 71.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.292 0.568 . . . . 0.0 109.575 174.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -65.39 -23.53 66.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.543 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 39.6 m -83.61 -50.28 8.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.075 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -62.95 -47.06 84.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.443 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.96 -34.7 78.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.589 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1039 ' ' GLN . . . . . 0.411 ' O ' ' HG2' ' A' 1043 ' ' GLU . 8.7 tt0 -65.97 -50.32 64.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.261 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -61.45 -35.14 76.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.42 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1041 ' ' ALA . . . . . 0.481 ' HA ' HD11 ' A' ' 913' ' ' LEU . . . -72.56 -33.47 66.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -74.99 -39.71 61.1 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.362 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1043 ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' 1039 ' ' GLN . 12.4 pt-20 -81.81 6.39 15.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 111.478 -178.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.974 0 CA-C-O 118.562 -0.733 . . . . 0.0 110.04 175.431 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 5.8 tp -82.84 78.47 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 122.102 0.953 . . . . 0.0 110.489 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -124.89 86.56 56.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.79 176.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -89.75 -160.61 0.1 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.057 2.505 . . . . 0.0 111.804 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -117.1 154.75 30.48 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.275 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 38.7 p -86.74 175.86 8.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.465 -176.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.97 -40.62 91.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.147 175.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . 0.429 ' CG1' ' HG2' ' A' ' 983' ' ' GLN . 35.5 m -69.16 -27.18 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -62.58 -36.16 81.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.675 0.274 . . . . 0.0 110.661 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -67.29 -41.55 85.25 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . 0.434 ' CB ' HD11 ' A' ' 986' ' ' LEU . 73.6 mt -60.35 -49.25 78.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.566 177.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -55.91 -52.35 64.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.084 0.469 . . . . 0.0 110.174 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -55.02 -51.0 67.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.173 -178.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -71.0 -42.49 69.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.61 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.57 96.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -177.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -65.04 -41.62 95.02 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.101 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -79.24 -27.73 42.43 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.709 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.22 -47.96 66.45 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.32 80.66 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.591 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -66.14 -57.12 8.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.888 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 69.4 m -59.53 -36.31 75.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.472 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . 0.47 ' HB1' HG12 ' A' ' 959' ' ' VAL . . . -61.15 -52.21 65.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.805 178.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 17.7 m -60.17 -38.99 84.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.458 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -65.12 -41.43 94.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.054 177.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 931' ' ' THR . . . . . 0.492 ' HB ' ' HE3' ' A' 1000 ' ' MET . 28.2 m -67.2 -35.31 79.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.527 179.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.532 HG22 ' HB3' ' A' ' 956' ' ' CYS . 91.6 mt -61.82 -48.77 87.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.99 0.424 . . . . 0.0 110.197 175.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.54 95.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.582 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -66.15 -45.54 80.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.965 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.615 ' HA ' HD23 ' A' 1020 ' ' LEU . . . -60.23 -34.06 73.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.394 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -97.38 9.12 43.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.628 -177.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -126.58 -35.29 2.36 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.183 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -68.43 -44.25 75.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.747 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -71.8 89.17 1.04 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.161 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 14.2 m -82.44 116.35 21.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.563 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -89.1 117.05 67.87 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.075 -178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -85.33 10.34 3.76 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.882 2.388 . . . . 0.0 111.896 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -174.56 -163.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.566 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -49.72 -51.33 39.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.58 0.229 . . . . 0.0 110.645 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 11.4 t 73.32 -53.34 0.7 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.638 0.775 . . . . 0.0 112.173 171.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -77.12 82.14 3.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.018 0.437 . . . . 0.0 111.715 -175.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . -78.94 -77.94 0.87 Allowed Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 171.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -76.61 154.03 34.77 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.407 2.071 . . . . 0.0 110.431 167.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -56.27 121.03 39.51 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-O 120.926 0.393 . . . . 0.0 111.178 -179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . 0.595 ' O ' ' HG2' ' A' ' 954' ' ' GLN . 16.7 Cg_exo -68.12 125.03 12.45 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.715 2.277 . . . . 0.0 111.41 176.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.609 HD13 ' HB1' ' A' 1003 ' ' ALA . 0.2 OUTLIER -60.79 -29.76 69.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.293 -177.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 83.4 mt -53.04 -69.48 0.11 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.445 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . 0.527 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 21.0 m -59.23 -36.53 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -174.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . 0.595 ' HG2' ' O ' ' A' ' 950' ' ' PRO . 65.2 mm-40 -61.38 -41.28 96.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.848 0.356 . . . . 0.0 110.504 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 955' ' ' SER . . . . . 0.49 ' O ' HG21 ' A' ' 959' ' ' VAL . 19.7 m -75.09 -41.04 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.376 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . 0.532 ' HB3' HG22 ' A' ' 932' ' ' ILE . 88.4 m -53.73 -46.28 70.79 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.398 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.561 ' O ' ' HG2' ' A' ' 961' ' ' GLU . 8.6 mtmp? -62.63 -44.71 95.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.568 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.5 99.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.616 ' O ' HG13 ' A' ' 963' ' ' ILE . 93.1 t -63.73 -47.2 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.341 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . 0.415 ' HA ' HD11 ' A' ' 963' ' ' ILE . . . -59.35 -27.42 65.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.87 -177.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 22.6 mm-40 -73.44 -34.17 65.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 111.108 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . 0.443 ' HA ' ' OE1' ' A' ' 962' ' ' GLN . 14.3 mm-40 -90.67 -20.84 22.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.097 -173.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.616 HG13 ' O ' ' A' ' 959' ' ' VAL . 85.1 mt -55.35 -55.3 41.3 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 16.1 Cg_endo -58.46 -30.57 91.95 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.386 2.058 . . . . 0.0 112.517 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 78.2 mt -77.48 -37.09 52.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.0 0.429 . . . . 0.0 110.386 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.531 ' O ' HG22 ' A' ' 970' ' ' VAL . 46.4 tp -62.61 -50.63 70.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.649 176.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . 0.446 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 98.5 t -64.61 -34.25 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.838 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . 0.418 ' OE1' ' HA ' ' A' ' 968' ' ' GLN . 6.8 tp60 -61.11 -45.53 94.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 176.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -58.27 -40.42 93.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.564 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 966' ' ' LEU . 60.1 t -61.61 -45.49 98.55 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-O 120.63 0.252 . . . . 0.0 110.505 176.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' A' ' 967' ' ' VAL . 19.3 mtp180 -56.74 -50.17 73.03 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.327 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -61.55 -32.73 82.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.005 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 50.4 m -78.5 -33.35 48.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.702 0.287 . . . . 0.0 111.183 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.492 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 50.0 mt-30 -63.3 -32.63 74.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.128 0.49 . . . . 0.0 109.941 174.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -81.45 -53.05 6.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.628 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -124.88 90.32 51.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.169 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.45 -25.39 13.12 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 122.55 2.167 . . . . 0.0 112.162 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -87.39 -5.01 59.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.545 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 33.4 t -75.07 122.0 86.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.078 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.43 -34.91 97.3 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.032 2.488 . . . . 0.0 111.672 174.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 13.1 t -67.42 -41.88 84.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.226 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -68.96 -44.66 72.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.644 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . 0.429 ' HG2' ' CG1' ' A' ' 914' ' ' VAL . 60.4 mt-30 -56.08 -51.55 67.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.436 175.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.75 -40.53 92.8 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.764 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -57.96 -49.22 77.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . 0.434 HD11 ' CB ' ' A' ' 917' ' ' LEU . 19.6 mt -56.22 -58.34 8.36 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.006 176.572 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' 1042 ' ' GLN . 61.7 mt -57.12 -46.6 84.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.566 -175.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -67.64 -48.76 65.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.275 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.87 -34.04 75.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.95 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.68 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 69.3 m -61.65 -49.27 77.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.622 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . 0.579 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.7 mt-30 -66.12 -37.04 84.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.049 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 50.7 m -75.88 -5.96 48.53 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.943 0.402 . . . . 0.0 111.214 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -102.4 -33.51 9.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.02 0.438 . . . . 0.0 110.012 177.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' ' 990' ' ' SER . 73.3 mt -58.34 -42.97 88.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.398 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.815 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 0.0 OUTLIER -62.19 -59.27 13.52 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.553 -177.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . 0.815 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 37.1 Cg_exo -61.37 -38.83 61.5 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.944 1.763 . . . . 0.0 111.958 177.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.511 ' O ' HG22 ' A' 1001 ' ' VAL . . . -60.65 -49.39 79.14 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.961 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.27 -34.81 86.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.207 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . 0.432 ' HE2' ' HG3' ' A' ' 995' ' ' GLN . 67.8 mttm -60.19 -44.15 95.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.316 . . . . 0.0 110.695 176.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1000 ' ' MET . . . . . 0.492 ' HE3' ' HB ' ' A' ' 931' ' ' THR . 49.3 ttp -74.69 -31.7 61.97 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.52 -177.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 997' ' ' GLY . 96.6 t -60.71 -49.18 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.1 85.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.704 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1003 ' ' ALA . . . . . 0.609 ' HB1' HD13 ' A' ' 951' ' ' LEU . . . -59.06 -45.05 91.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.185 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.636 ' O ' HG21 ' A' 1008 ' ' VAL . . . -59.65 -51.27 70.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.725 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.18 -32.92 71.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.415 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -78.88 -23.76 44.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1007 ' ' SER . . . . . 0.505 ' O ' HG13 ' A' 1011 ' ' ILE . 23.1 t -86.54 -27.78 23.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.974 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.636 HG21 ' O ' ' A' 1004 ' ' ALA . 69.7 t -47.47 -52.07 39.38 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.55 -14.36 27.59 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 121.761 1.64 . . . . 0.0 113.206 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 34.2 p -97.76 4.09 49.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.837 0.351 . . . . 0.0 111.698 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.557 HD13 HD12 ' A' 1020 ' ' LEU . 67.8 mt -88.87 132.1 34.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.848 0.356 . . . . 0.0 110.085 177.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -64.64 -31.69 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.573 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1013 ' ' ASP . . . . . 0.422 ' H ' HG21 ' A' 1011 ' ' ILE . 26.7 t70 -102.14 124.82 48.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.96 0.409 . . . . 0.0 110.768 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.62 -38.28 86.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.78 -176.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.16 82.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.63 0.252 . . . . 0.0 111.209 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1016 ' ' SER . . . . . 0.555 ' O ' ' HB3' ' A' 1019 ' ' GLN . 6.8 p -69.62 -25.92 64.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.824 0.345 . . . . 0.0 110.941 177.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.535 ' HA ' HD11 ' A' 1011 ' ' ILE . . . -66.54 -41.32 88.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.294 0.569 . . . . 0.0 110.403 174.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 93.7 mmm -70.92 -19.9 62.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.624 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1019 ' ' GLN . . . . . 0.555 ' HB3' ' O ' ' A' 1016 ' ' SER . 7.4 tt0 -63.09 -49.04 76.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.059 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.615 HD23 ' HA ' ' A' ' 935' ' ' ALA . 15.4 mt -64.76 -40.44 95.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.684 176.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 20.1 m -58.29 -43.78 88.2 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.968 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.7 -47.21 79.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.052 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 65.6 m -64.83 -44.57 89.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.098 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.39 -29.08 70.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.987 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -68.9 -47.71 65.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.977 0.417 . . . . 0.0 110.258 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -67.62 -44.04 78.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.794 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.36 -42.67 96.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.405 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.62 98.76 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.359 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 18.1 m -75.06 -31.57 61.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.003 0.43 . . . . 0.0 110.472 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -63.35 -47.05 83.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.086 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1031 ' ' LEU . . . . . 0.437 HD23 HD22 ' A' ' 994' ' ' LEU . 96.6 mt -65.05 -34.84 79.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.338 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.04 -47.38 81.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.748 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -63.4 -54.61 34.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.99 0.424 . . . . 0.0 110.471 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1034 ' ' LEU . . . . . 0.452 ' HG ' ' HB3' ' A' ' 990' ' ' SER . 22.9 tp -55.54 -47.71 75.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.575 -174.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -63.76 -43.36 96.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.056 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 26.9 m -69.76 -41.22 75.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.794 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -65.11 -44.85 87.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.952 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -66.5 -31.93 72.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.85 -46.09 89.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.969 0.414 . . . . 0.0 110.054 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.48 -45.08 76.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.963 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -70.2 -30.23 67.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.011 -175.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1042 ' ' GLN . . . . . 0.407 ' HA ' HD12 ' A' ' 987' ' ' ILE . 7.7 tt0 -60.85 -39.68 90.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.111 0.481 . . . . 0.0 111.044 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -106.73 17.17 23.57 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.299 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.324 -0.846 . . . . 0.0 110.827 -179.011 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 10.3 tt -84.42 137.23 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.81 0.305 . . . . 0.0 110.286 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -80.92 126.44 77.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.82 84.02 1.51 Allowed 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.397 2.064 . . . . 0.0 112.449 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -74.3 138.61 43.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.011 176.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 912' ' ' THR . . . . . 0.4 ' O ' ' HG3' ' A' ' 916' ' ' ARG . 58.1 p -74.78 162.81 28.33 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.504 HD11 ' HA ' ' A' 1041 ' ' ALA . 92.1 mt -61.94 -38.52 88.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.912 0.387 . . . . 0.0 110.39 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . 0.467 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 29.1 m -74.46 -33.61 33.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.329 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -63.52 -36.01 82.37 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.153 0.501 . . . . 0.0 109.972 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 912' ' ' THR . 35.3 mtp180 -61.28 -48.57 80.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.603 174.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . 0.417 ' CB ' HD11 ' A' ' 986' ' ' LEU . 83.5 mt -57.79 -47.37 82.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.694 177.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.569 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 52.4 mt-10 -50.88 -58.54 5.74 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.515 0.509 . . . . 0.0 110.95 177.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -66.89 -41.13 87.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.638 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -68.59 -44.67 73.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.31 -177.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -61.94 -33.65 74.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.372 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . 0.569 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 97.4 mttt -60.11 -51.54 69.17 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.779 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -78.69 -29.68 45.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.107 -177.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.23 85.4 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.87 88.49 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.547 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -69.57 -51.8 32.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.045 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 23.3 t -61.54 -35.25 77.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.789 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . 0.588 ' HB1' ' HZ ' ' A' ' 993' ' ' PHE . . . -59.84 -46.3 89.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 175.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 57.1 m -58.28 -40.85 83.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.586 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -65.61 -44.42 86.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.717 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 12.2 m -65.94 -42.09 90.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.716 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 928' ' ' ALA . 70.8 mt -63.22 -42.97 98.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.259 177.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -58.41 -43.23 88.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.485 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.8 81.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.704 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.21 97.44 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -176.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -64.42 -28.69 69.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.932 0.396 . . . . 0.0 110.823 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -96.82 2.76 52.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.049 0.452 . . . . 0.0 110.356 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . 0.504 ' HB3' HD12 ' A' 1011 ' ' ILE . . . -94.49 9.32 38.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.246 0.546 . . . . 0.0 110.609 -178.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -85.15 12.56 7.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.165 176.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 15.7 t -66.29 139.73 58.08 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.864 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . 68.33 109.3 0.03 OUTLIER Pre-proline 0 C--O 1.237 0.396 0 O-C-N 124.39 1.056 . . . . 0.0 111.278 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -49.51 114.84 1.48 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.93 2.42 . . . . 0.0 111.324 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . 0.561 ' HB3' ' HZ2' ' A' ' 943' ' ' LYS . 0.2 OUTLIER -109.3 162.01 14.72 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.863 -171.754 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -78.21 78.88 4.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.101 0.477 . . . . 0.0 111.238 -177.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 8.3 t -161.13 93.22 0.95 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -71.9 137.82 47.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.154 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . 0.43 ' HA2' ' HD3' ' A' ' 948' ' ' PRO . . . 128.7 140.66 5.0 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.681 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.43 ' HD3' ' HA2' ' A' ' 947' ' ' GLY . 22.0 Cg_exo -64.05 -24.45 66.72 Favored 'Trans proline' 0 CA--C 1.517 -0.358 0 C-N-CA 122.702 2.268 . . . . 0.0 111.894 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . 0.51 ' HB3' ' HB2' ' A' ' 954' ' ' GLN . 64.9 mt-30 -124.52 81.57 59.71 Favored Pre-proline 0 C--N 1.31 -1.146 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.612 176.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -58.57 -54.8 2.56 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.457 2.105 . . . . 0.0 111.372 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.613 ' HG ' ' HB1' ' A' 1003 ' ' ALA . 11.8 tp -168.19 -55.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.508 176.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . 0.586 HD21 ' HA ' ' A' 1004 ' ' ALA . 81.6 mt -49.19 -65.48 0.56 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.437 176.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . 0.46 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 42.6 t -52.14 -39.75 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.489 -177.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . 0.51 ' HB2' ' HB3' ' A' ' 949' ' ' GLN . 0.2 OUTLIER -60.33 -53.48 57.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.885 -179.874 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 955' ' ' SER . . . . . 0.474 ' O ' HG23 ' A' ' 959' ' ' VAL . 35.7 m -69.77 -36.37 75.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.26 -177.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 98.2 m -58.76 -35.44 72.76 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.605 0.24 . . . . 0.0 111.159 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 68.1 mttm -62.56 -47.13 85.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.771 177.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.52 -46.16 73.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.005 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 963' ' ' ILE . 93.8 t -61.05 -43.69 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.327 -178.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -61.72 -26.34 67.99 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -80.39 -25.92 38.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 110.564 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -86.61 -26.03 24.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.471 -176.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 959' ' ' VAL . 77.0 mt -53.4 -55.7 31.98 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 21.5 Cg_endo -61.86 -28.91 81.89 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 122.053 1.835 . . . . 0.0 112.209 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 68.5 mt -69.32 -40.38 77.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.603 ' O ' HG22 ' A' ' 970' ' ' VAL . 78.8 mt -56.57 -59.0 5.64 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.121 0.486 . . . . 0.0 110.06 174.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . 0.588 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 57.3 t -61.6 -35.72 68.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.37 -176.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.49 -42.85 88.5 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.103 0.478 . . . . 0.0 109.83 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -67.47 -38.4 90.78 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.97 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 966' ' ' LEU . 41.2 t -62.18 -38.55 81.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 120.938 0.399 . . . . 0.0 110.881 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . 0.588 ' HG3' ' O ' ' A' ' 967' ' ' VAL . 23.1 mtm180 -64.94 -34.17 77.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.689 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -77.28 -43.15 16.97 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.29 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 2.8 p -66.01 -36.98 84.75 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.24 -21.39 66.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.687 0.279 . . . . 0.0 111.245 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -92.61 -52.03 4.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.04 0.448 . . . . 0.0 110.514 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -130.87 94.91 27.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.63 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.35 -4.35 14.16 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.273 1.982 . . . . 0.0 112.129 176.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.41 -1.69 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.725 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 49.8 p -92.71 128.73 42.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.378 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -57.65 -32.77 95.41 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.572 2.182 . . . . 0.0 111.935 -179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 18.5 m -60.94 -47.78 84.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.862 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -70.96 -37.0 72.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.816 0.341 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . 0.445 ' HG2' HG12 ' A' ' 914' ' ' VAL . 59.9 mt-30 -61.1 -55.42 32.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.5 177.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.97 -31.38 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.033 -179.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.56 83.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.844 0.355 . . . . 0.0 110.43 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . 0.417 HD11 ' CB ' ' A' ' 917' ' ' LEU . 35.4 mt -75.27 -57.03 4.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 175.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . . . . . . . . . 86.8 mt -52.14 -52.62 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.139 -174.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.64 75.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.171 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.55 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.246 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.671 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 48.8 m -64.5 -43.75 93.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . 0.46 ' HA ' HD12 ' A' ' 994' ' ' LEU . 77.7 mt-30 -65.85 -39.08 90.44 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.068 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 45.0 p -76.84 -5.95 50.39 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.831 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.588 ' HZ ' ' HB1' ' A' ' 928' ' ' ALA . 89.5 t80 -99.85 -38.67 8.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.153 177.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.671 ' HG ' ' O ' ' A' ' 990' ' ' SER . 81.2 mt -54.34 -48.45 71.4 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.724 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.475 ' O ' ' HG3' ' A' ' 999' ' ' LYS . 32.9 tt0 -63.14 -60.25 10.11 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.162 -174.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -64.91 -32.42 54.85 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 121.721 1.614 . . . . 0.0 112.086 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.52 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.25 -47.51 89.21 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 177.002 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.87 -35.77 92.47 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.031 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 68.7 mttm -58.21 -45.47 87.6 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 174.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 46.7 ttp -70.91 -30.55 66.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.972 -177.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 997' ' ' GLY . 94.4 t -62.16 -46.05 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.217 0.532 . . . . 0.0 109.782 173.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.51 86.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.35 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1003 ' ' ALA . . . . . 0.613 ' HB1' ' HG ' ' A' ' 951' ' ' LEU . . . -57.98 -45.93 85.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.015 177.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.586 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -56.2 -56.71 17.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.989 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -60.88 -35.69 77.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.931 -177.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -78.6 -18.0 55.23 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -176.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 36.1 m -94.03 -24.61 17.55 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.241 -0.184 . . . . 0.0 111.325 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.66 HG12 ' HB2' ' A' 1017 ' ' ALA . 70.3 t -49.19 -51.82 53.55 Favored Pre-proline 0 CA--C 1.543 0.694 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1009 ' ' PRO . . . . . 0.507 ' HD2' ' N ' ' A' 1008 ' ' VAL . 18.8 Cg_endo -58.83 -21.23 56.01 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.385 2.057 . . . . 0.0 113.834 -176.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 31.6 p -90.45 -5.8 55.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.041 0.448 . . . . 0.0 111.03 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.504 HD12 ' HB3' ' A' ' 938' ' ' ALA . 51.9 mt -96.13 121.89 47.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.784 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1012 ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' 1012 ' ' GLN . 7.8 mm-40 -84.87 -23.11 29.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.96 0.41 . . . . 0.0 110.301 -176.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -72.59 113.61 9.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.834 174.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.67 ' HB3' ' HE3' ' A' 1018 ' ' MET . 43.1 mt-30 -60.62 -49.36 77.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.3 -175.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -55.71 -52.7 62.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.121 -174.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 15.8 m -65.93 -37.07 85.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.654 0.264 . . . . 0.0 111.123 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.66 ' HB2' HG12 ' A' 1008 ' ' VAL . . . -65.31 -44.27 88.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 110.779 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1018 ' ' MET . . . . . 0.67 ' HE3' ' HB3' ' A' 1014 ' ' GLN . 66.4 mtt -63.84 -47.66 79.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.467 178.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -60.7 -44.53 96.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.753 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 62.3 tp -56.9 -47.86 79.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.014 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 47.5 t -67.5 -38.1 83.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.841 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1022 ' ' GLN . . . . . 0.408 ' HA ' ' OE1' ' A' 1022 ' ' GLN . 6.8 tp60 -66.13 -49.42 67.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 -177.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 72.5 m -62.18 -38.12 87.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.792 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.59 86.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -64.82 -40.48 95.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 110.645 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -64.81 -47.18 78.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.176 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1027 ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' A' 1031 ' ' LEU . 57.2 tp -61.57 -44.92 96.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.846 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.0 -39.51 94.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.539 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.7 m -77.27 -32.5 55.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.922 0.391 . . . . 0.0 110.653 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.52 96.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.255 0.55 . . . . 0.0 110.066 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1031 ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' 1027 ' ' LEU . 84.4 mt -65.51 -35.28 80.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.533 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.44 -48.45 71.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.456 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -81.99 -34.71 29.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.562 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.06 -42.1 99.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.008 0.432 . . . . 0.0 110.364 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1035 ' ' ARG . . . . . 0.505 ' HA ' HD11 ' A' ' 994' ' ' LEU . 44.0 ttm180 -58.96 -50.98 72.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.843 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 18.2 m -60.82 -34.38 74.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.103 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -73.0 -53.89 10.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.177 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.06 82.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.872 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -62.48 -49.82 73.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.916 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1040 ' ' LYS . . . . . 0.433 ' HA ' ' HG2' ' A' 1043 ' ' GLU . 56.9 mtmt -77.31 -26.95 52.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.311 -177.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1041 ' ' ALA . . . . . 0.504 ' HA ' HD11 ' A' ' 913' ' ' LEU . . . -68.77 -25.99 64.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.025 0.44 . . . . 0.0 110.974 178.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -79.27 -22.89 44.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.753 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1043 ' ' GLU . . . . . 0.433 ' HG2' ' HA ' ' A' 1040 ' ' LYS . 8.9 pt-20 -105.28 19.81 19.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.957 -178.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.834 -0.603 . . . . 0.0 110.716 179.175 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . 0.448 ' H3 ' ' CD ' ' A' 1033 ' ' GLU . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.866 -0.494 . . . . 0.0 111.866 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 7.4 tt -126.04 105.31 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.845 0.355 . . . . 0.0 111.501 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 28.4 t70 59.62 103.3 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.57 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.758 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . 0.418 ' HB3' ' NH2' ' A' ' 916' ' ' ARG . 12.9 Cg_exo -70.09 88.77 0.57 Allowed 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.692 2.261 . . . . 0.0 111.469 174.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . 0.694 ' HD2' HG23 ' A' ' 912' ' ' THR . 46.2 t80 -94.3 -59.93 1.84 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.266 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 912' ' ' THR . . . . . 0.694 HG23 ' HD2' ' A' ' 911' ' ' PHE . 1.6 t -150.03 170.0 19.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.808 0.337 . . . . 0.0 110.199 176.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' 1041 ' ' ALA . 84.0 mt -62.58 -44.22 96.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.356 -174.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 27.8 m -74.44 -27.23 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.941 0.401 . . . . 0.0 111.142 -178.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -66.63 -39.17 88.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.084 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . 0.418 ' NH2' ' HB3' ' A' ' 910' ' ' PRO . 77.2 mtt85 -56.74 -46.17 81.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.735 173.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . 0.518 ' HB3' HD22 ' A' ' 986' ' ' LEU . 86.1 mt -61.11 -50.11 74.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.299 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -48.48 -52.4 22.55 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.174 0.512 . . . . 0.0 111.7 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -77.26 -39.35 48.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.584 -173.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -68.4 -40.26 81.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.583 0.23 . . . . 0.0 111.256 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.56 -40.2 88.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.489 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -65.93 -40.57 91.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.615 0.245 . . . . 0.0 111.431 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -76.78 -33.18 58.05 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.591 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.61 82.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 110.189 175.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.53 -41.84 86.41 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.448 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . 0.433 ' O ' ' HG3' ' A' ' 930' ' ' GLN . . . -64.8 -56.0 16.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.188 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 72.2 m -58.5 -36.98 74.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.508 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . 0.525 ' HB1' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.86 -47.36 85.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 110.294 176.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 27.1 m -62.69 -35.85 81.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.406 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' A' ' 926' ' ' ALA . 54.7 mt-30 -63.87 -43.8 95.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 176.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 5.0 m -65.88 -41.53 91.46 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.255 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.485 HG23 ' SG ' ' A' ' 956' ' ' CYS . 62.6 mt -59.24 -41.79 85.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.142 176.744 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -68.99 -5.42 21.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.83 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -107.96 -39.71 5.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.165 0.507 . . . . 0.0 109.807 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -60.28 -54.17 48.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.02 -177.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -92.72 12.07 24.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.959 0.409 . . . . 0.0 111.137 -176.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -107.13 -27.19 10.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.967 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . 0.453 ' HB3' ' HB3' ' A' 1016 ' ' SER . . . -112.39 18.17 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.558 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . 0.434 ' C ' ' H ' ' A' ' 941' ' ' ALA . . . -78.02 100.58 6.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.411 -179.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 91.0 p 66.2 -33.49 0.19 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.376 1.47 . . . . 0.0 112.85 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . 0.434 ' H ' ' C ' ' A' ' 939' ' ' ALA . . . -134.42 149.96 72.54 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.13 26.98 0.41 Allowed 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.936 2.424 . . . . 0.0 113.358 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -137.28 -82.57 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -163.26 121.56 1.99 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.189 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 70.5 m -155.6 94.97 1.63 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.301 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -95.5 8.31 43.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.486 -176.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . -59.07 -74.21 0.38 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.762 175.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -82.38 56.77 5.89 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.615 2.21 . . . . 0.0 111.104 173.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . 0.447 ' HB2' ' HB ' ' A' ' 953' ' ' VAL . 29.8 pt20 -67.21 123.77 87.25 Favored Pre-proline 0 C--O 1.233 0.229 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.225 -176.046 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 80.8 Cg_endo -93.78 -160.88 0.08 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.178 2.585 . . . . 0.0 111.623 178.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.576 ' O ' ' HB1' ' A' 1003 ' ' ALA . 4.4 mm? -75.14 68.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.251 0.548 . . . . 0.0 109.977 176.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' 1004 ' ' ALA . 18.5 mt -152.6 -63.07 0.16 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.232 175.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . 0.464 HG12 ' NZ ' ' A' ' 957' ' ' LYS . 47.7 t -63.06 -34.56 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.638 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -64.73 -59.28 4.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.826 178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 13.9 m -63.74 -28.32 69.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.794 -179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . 0.485 ' SG ' HG23 ' A' ' 932' ' ' ILE . 10.6 t -54.51 -44.51 72.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 175.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.471 ' O ' ' HG2' ' A' ' 961' ' ' GLU . 63.5 mttp -59.4 -47.41 85.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.85 99.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.976 0.417 . . . . 0.0 110.94 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.477 ' O ' HG13 ' A' ' 963' ' ' ILE . 91.9 t -68.14 -47.44 78.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.283 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -64.48 -21.63 66.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 53.2 mm-40 -86.86 -15.76 38.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.925 0.393 . . . . 0.0 110.909 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . 0.611 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 85.1 mm-40 -94.84 -23.34 17.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.665 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.495 ' N ' ' HD2' ' A' ' 964' ' ' PRO . 78.1 mt -55.58 -52.38 72.42 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.405 179.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 13.2 Cg_endo -56.86 -30.66 86.28 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.234 1.956 . . . . 0.0 112.492 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.22 -39.72 86.3 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.647 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.652 ' O ' HG21 ' A' ' 970' ' ' VAL . 97.1 mt -57.96 -57.58 12.19 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.163 0.506 . . . . 0.0 109.879 175.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.0 -37.6 78.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.167 -176.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.06 -43.79 98.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -61.61 -44.85 97.41 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.906 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.652 HG21 ' O ' ' A' ' 966' ' ' LEU . 24.5 t -56.93 -49.06 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 120.967 0.413 . . . . 0.0 110.249 177.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -60.13 -41.93 93.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.851 178.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.38 -43.72 98.36 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.351 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 23.0 t -72.73 -17.03 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 0.0 111.188 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -90.33 -37.67 13.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.69 0.281 . . . . 0.0 110.809 176.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -70.53 -36.88 73.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.176 0.512 . . . . 0.0 110.22 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -123.89 87.93 52.64 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.783 175.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.99 -25.03 66.76 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.846 2.364 . . . . 0.0 112.341 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -127.89 80.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.335 0.588 . . . . 0.0 109.447 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 39.2 t -152.29 119.45 3.15 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.997 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.54 -28.94 83.8 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.623 2.215 . . . . 0.0 111.535 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 27.9 m -64.51 -47.58 78.36 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.09 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.5 91.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.349 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . 0.441 ' O ' HG13 ' A' ' 987' ' ' ILE . 54.2 mt-30 -57.62 -61.94 2.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.032 177.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.64 -33.0 72.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.473 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -61.02 -49.14 78.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 110.622 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 917' ' ' LEU . 1.1 tt -66.0 -45.17 82.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.802 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 983' ' ' GLN . 87.5 mt -58.07 -51.18 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.944 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.49 93.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.026 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.91 92.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.998 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.674 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.1 m -60.44 -48.29 82.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.38 178.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . 0.672 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.2 mt-30 -66.04 -37.09 84.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 20.6 t -66.14 -27.72 68.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.464 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.525 ' HZ ' ' HB1' ' A' ' 928' ' ' ALA . 83.4 t80 -83.29 -31.22 27.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.638 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 990' ' ' SER . 94.4 mt -55.25 -44.9 75.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.6 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.838 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 7.2 tp60 -60.19 -62.43 5.94 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.827 -176.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . 0.838 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 23.2 Cg_exo -65.04 -40.99 18.22 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.003 1.802 . . . . 0.0 112.135 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.51 ' O ' HG21 ' A' 1001 ' ' VAL . . . -60.44 -46.64 93.97 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.068 -179.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.91 -35.73 90.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.446 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -69.8 -33.29 72.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.637 0.256 . . . . 0.0 110.792 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 9.8 tmm? -77.32 -25.48 51.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.51 HG21 ' O ' ' A' ' 997' ' ' GLY . 88.1 t -59.23 -45.46 92.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 172.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -70.02 -42.77 72.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.482 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1003 ' ' ALA . . . . . 0.576 ' HB1' ' O ' ' A' ' 951' ' ' LEU . . . -58.62 -40.84 84.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.219 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.472 ' HA ' HD23 ' A' ' 952' ' ' LEU . . . -65.56 -46.38 79.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.071 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1005 ' ' LYS . . . . . 0.485 ' HE2' HG11 ' A' 1001 ' ' VAL . 67.3 mttm -56.9 -44.78 82.71 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.96 0.409 . . . . 0.0 111.373 -179.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -69.63 -20.97 63.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.752 -176.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1007 ' ' SER . . . . . 0.423 ' O ' HG13 ' A' 1011 ' ' ILE . 19.4 m -92.02 -16.04 27.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.453 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' 1004 ' ' ALA . 97.0 t -55.74 -53.17 65.73 Favored Pre-proline 0 CA--C 1.541 0.615 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1009 ' ' PRO . . . . . 0.407 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 61.2 Cg_endo -73.59 -14.03 24.77 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.948 1.765 . . . . 0.0 113.564 -177.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 20.3 p -90.39 -21.11 22.12 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.26 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' 1007 ' ' SER . 79.8 mt -82.28 127.36 39.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -79.34 -28.04 42.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.37 107.43 3.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.146 176.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -60.88 -45.75 93.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.458 -174.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.85 82.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.768 0.318 . . . . 0.0 110.968 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1016 ' ' SER . . . . . 0.453 ' HB3' ' HB3' ' A' ' 938' ' ' ALA . 29.2 m -72.79 -39.36 66.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.75 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -63.09 -48.23 79.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.051 0.453 . . . . 0.0 110.589 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 26.5 mmt -62.18 -37.82 86.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.378 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.62 -41.61 97.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.62 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.43 HD21 ' HA ' ' A' 1020 ' ' LEU . 10.5 mt -59.68 -54.28 48.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.401 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 22.1 t -62.22 -39.66 93.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.754 0.312 . . . . 0.0 110.545 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1022 ' ' GLN . . . . . 0.408 ' OE1' ' HE3' ' A' 1025 ' ' LYS . 7.7 tp60 -57.85 -48.67 79.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.604 178.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 62.4 m -72.87 -45.12 60.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.162 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.52 -43.04 93.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.972 -177.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1025 ' ' LYS . . . . . 0.408 ' HE3' ' OE1' ' A' 1022 ' ' GLN . 18.8 pttp -67.09 -35.09 79.04 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.538 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.36 -40.75 70.44 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.354 -0.385 . . . . 0.0 109.989 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1027 ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' 1031 ' ' LEU . 48.5 tp -59.64 -38.06 80.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.868 176.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.25 -47.75 89.29 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.566 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 4.3 m -71.26 -34.69 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.995 0.426 . . . . 0.0 110.472 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -59.66 -47.98 83.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.165 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1031 ' ' LEU . . . . . 0.464 HD23 HD21 ' A' ' 994' ' ' LEU . 96.7 mt -65.7 -34.57 78.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.717 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.83 -56.9 15.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.209 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1033 ' ' GLU . . . . . 0.448 ' CD ' ' H3 ' ' A' ' 907' ' ' GLY . 11.7 pt-20 -75.59 -29.86 59.42 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.37 -178.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.66 -46.97 87.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.917 0.389 . . . . 0.0 109.994 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -61.88 -43.76 98.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.194 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1036 ' ' THR . . . . . 0.528 HG23 ' HE2' ' A' 1040 ' ' LYS . 27.6 m -63.78 -43.64 95.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.82 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -63.5 -48.37 77.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.051 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1038 ' ' ALA . . . . . 0.423 ' HA ' HD23 ' A' ' 917' ' ' LEU . . . -63.19 -33.38 75.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.737 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1039 ' ' GLN . . . . . 0.886 HE21 ' HA ' ' A' 1039 ' ' GLN . 0.0 OUTLIER -67.97 -41.32 82.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.476 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1040 ' ' LYS . . . . . 0.528 ' HE2' HG23 ' A' 1036 ' ' THR . 68.0 mttm -65.89 -47.05 76.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.947 0.403 . . . . 0.0 110.858 178.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1041 ' ' ALA . . . . . 0.546 ' HA ' HD12 ' A' ' 913' ' ' LEU . . . -68.13 -21.29 64.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.703 -176.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -80.53 -32.61 36.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.02 -176.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1043 ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' 1039 ' ' GLN . 10.9 mm-40 -91.31 -10.18 42.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.374 -174.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.963 -178.714 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.727 -0.549 . . . . 0.0 111.727 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . 0.441 ' O ' HG13 ' A' ' 908' ' ' ILE . 9.9 tp -98.55 23.78 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 122.473 1.13 . . . . 0.0 109.915 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 910' ' ' PRO . 8.3 p-10 -87.05 123.02 70.86 Favored Pre-proline 0 C--N 1.314 -0.944 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.726 177.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 909' ' ' ASP . 9.7 Cg_endo -52.04 102.8 0.07 OUTLIER 'Trans proline' 0 CA--C 1.518 -0.322 0 C-N-CA 124.419 3.413 . . . . 0.0 113.68 -174.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . 0.488 ' HB2' ' HG3' ' A' ' 915' ' ' GLN . 10.9 m-85 -55.68 -61.12 2.57 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 167.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 912' ' ' THR . . . . . 0.599 ' OG1' ' HG2' ' A' ' 915' ' ' GLN . 45.6 p -121.77 179.13 4.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.57 -1.195 . . . . 0.0 108.248 169.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 5.1 mp -87.35 -22.83 24.84 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.164 177.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . 0.53 HG11 HD12 ' A' ' 917' ' ' LEU . 27.1 m -77.4 -21.06 14.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.979 177.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . 0.599 ' HG2' ' OG1' ' A' ' 912' ' ' THR . 13.1 mm100 -57.59 -37.4 73.14 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.362 0.601 . . . . 0.0 109.85 171.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -68.56 -43.19 77.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.773 175.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . 0.53 HD12 HG11 ' A' ' 914' ' ' VAL . 87.1 mt -60.02 -42.13 93.7 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.324 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 94.4 mt-10 -54.49 -45.6 73.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.057 0.456 . . . . 0.0 110.93 178.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -69.47 -50.53 44.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -62.86 -40.19 96.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.6 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.36 87.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.514 0.197 . . . . 0.0 111.409 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -66.53 -40.27 89.05 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.971 -0.291 . . . . 0.0 111.163 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -75.43 -30.18 59.95 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.462 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.31 -47.07 68.56 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 175.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -59.14 -41.01 87.27 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.392 176.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.34 -56.38 16.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.946 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 46.6 m -59.13 -37.86 78.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.9 -178.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . 0.513 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -60.25 -51.19 70.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.46 176.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 27.1 m -58.1 -43.79 87.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.628 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . 0.452 ' OE1' ' HA ' ' A' ' 930' ' ' GLN . 12.4 mm-40 -64.03 -41.28 97.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.928 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 931' ' ' THR . . . . . 0.485 ' HB ' ' HE2' ' A' 1000 ' ' MET . 31.3 m -67.25 -37.15 83.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.775 179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.505 ' O ' ' HG3' ' A' ' 936' ' ' GLN . 71.9 mt -61.43 -50.5 80.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.796 0.331 . . . . 0.0 110.27 176.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.73 87.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.878 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -67.66 -41.91 83.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.721 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.697 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -61.16 -43.62 98.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.132 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 92.3 mt-30 -61.08 -41.17 96.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.048 0.451 . . . . 0.0 110.35 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -70.15 -42.17 72.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.171 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -79.19 -16.29 56.79 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.973 -175.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -58.72 -61.44 2.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.684 -0.235 . . . . 0.0 110.377 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 17.6 m 70.34 -62.48 0.43 Allowed 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.931 0.77 . . . . 0.0 112.018 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -147.87 155.48 44.33 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.412 -176.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . 0.606 ' HA ' ' HG3' ' A' ' 950' ' ' PRO . 50.3 Cg_exo -54.89 115.29 2.32 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.771 2.314 . . . . 0.0 111.221 173.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -85.57 86.67 7.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -170.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . 61.27 81.62 0.19 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.536 168.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 5.7 t 56.91 36.96 28.47 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.831 170.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -102.41 12.96 35.78 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.095 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 90.71 -172.83 37.75 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.556 -177.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.59 -2.54 12.76 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.683 2.255 . . . . 0.0 111.628 176.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -135.28 105.96 10.21 Favored Pre-proline 0 C--N 1.314 -0.937 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.745 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . 0.606 ' HG3' ' HA ' ' A' ' 942' ' ' PRO . 51.1 Cg_exo -54.75 -77.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.014 2.476 . . . . 0.0 113.747 -172.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.519 ' HA ' ' OE1' ' A' ' 954' ' ' GLN . 0.2 OUTLIER -161.77 -50.23 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.402 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . 0.697 ' HB3' ' HB1' ' A' ' 935' ' ' ALA . 89.2 mt -48.07 -55.4 10.28 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.486 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . 0.469 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 39.5 t -55.89 -38.9 54.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.773 -175.09 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . 0.519 ' OE1' ' HA ' ' A' ' 951' ' ' LEU . 46.7 mt-30 -55.68 -49.93 71.63 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.314 0.578 . . . . 0.0 110.382 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 955' ' ' SER . . . . . 0.425 ' O ' HG21 ' A' ' 959' ' ' VAL . 16.7 m -67.9 -41.58 82.47 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.741 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 70.8 m -58.38 -36.47 73.57 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.562 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.596 ' HZ1' ' HB3' ' A' ' 957' ' ' LYS . 9.0 mtpm? -65.76 -39.43 91.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.773 0.32 . . . . 0.0 110.905 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -72.48 -42.73 64.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.19 0.519 . . . . 0.0 110.625 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.512 ' O ' HG13 ' A' ' 963' ' ' ILE . 86.4 t -59.21 -42.17 86.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.597 177.631 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.9 -22.28 64.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.9 -178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -75.87 -29.57 58.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 110.797 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . 0.44 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 14.5 mm100 -98.7 -18.74 17.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -174.039 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.512 HG13 ' O ' ' A' ' 959' ' ' VAL . 73.6 mt -55.45 -55.04 44.39 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.8 Cg_endo -60.51 -29.84 89.47 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.882 1.721 . . . . 0.0 112.073 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.85 -37.8 79.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.616 ' O ' HG23 ' A' ' 970' ' ' VAL . 85.4 mt -59.65 -57.77 11.47 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.138 0.494 . . . . 0.0 109.868 174.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . 0.419 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 33.4 t -63.13 -35.58 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.969 -176.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.36 -42.8 96.51 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -63.19 -42.32 99.42 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.759 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 966' ' ' LEU . 16.6 t -60.66 -44.08 96.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 120.981 0.42 . . . . 0.0 109.945 177.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 971' ' ' ARG . 42.6 mtm-85 -71.13 -8.48 53.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.999 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -89.44 -47.91 3.9 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 27.9 t -63.95 -37.58 87.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 110.371 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -87.8 10.15 19.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.068 0.461 . . . . 0.0 111.226 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -111.58 -44.03 3.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 172.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -132.53 85.42 48.1 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.998 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -70.08 -18.31 35.57 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.164 2.576 . . . . 0.0 112.876 -176.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -90.34 -19.14 24.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.986 0.422 . . . . 0.0 110.504 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 34.0 t -72.07 123.78 89.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.55 -19.07 37.58 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.635 2.224 . . . . 0.0 111.417 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 33.4 t -65.38 -33.59 76.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.828 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -67.23 -32.4 73.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.596 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . 0.513 ' HG2' HG13 ' A' ' 914' ' ' VAL . 79.9 mt-30 -60.97 -63.66 1.22 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.598 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -61.44 -29.35 69.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.67 76.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.777 0.322 . . . . 0.0 110.192 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 16.5 mt -68.86 -50.05 53.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.102 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . 0.46 HG22 ' HG2' ' A' 1042 ' ' GLN . 81.2 mt -54.72 -53.02 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.606 -176.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.58 89.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.233 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.52 94.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.736 0.303 . . . . 0.0 110.497 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.69 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 41.5 m -64.2 -49.4 72.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.546 178.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . 0.612 ' HA ' HD11 ' A' ' 994' ' ' LEU . 97.4 mt-30 -60.26 -43.76 95.88 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.195 0.521 . . . . 0.0 110.828 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 17.6 t -73.01 -10.97 60.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.872 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.513 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 85.8 t80 -94.36 -31.24 14.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.913 0.387 . . . . 0.0 110.181 176.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.69 ' HG ' ' O ' ' A' ' 990' ' ' SER . 78.7 mt -56.76 -43.31 80.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.442 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.492 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 29.4 tt0 -63.05 -62.43 5.65 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.78 -177.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . 0.492 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 35.5 Cg_endo -65.39 -33.98 45.47 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.751 1.634 . . . . 0.0 112.148 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.466 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.52 -47.27 90.6 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.718 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.7 -31.97 79.9 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.166 -0.54 . . . . 0.0 111.958 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.22 -33.0 74.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.635 0.255 . . . . 0.0 110.887 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1000 ' ' MET . . . . . 0.485 ' HE2' ' HB ' ' A' ' 931' ' ' THR . 47.0 ttp -78.71 -33.25 46.94 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.09 179.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 997' ' ' GLY . 58.0 t -62.76 -46.74 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 174.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.85 -48.18 81.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.429 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.69 83.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.04 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.599 ' O ' HG21 ' A' 1008 ' ' VAL . . . -62.96 -52.25 63.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.756 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.72 -27.52 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.41 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -85.96 -19.87 29.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.537 -178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1007 ' ' SER . . . . . 0.644 ' O ' HG13 ' A' 1011 ' ' ILE . 50.4 m -86.94 -25.76 24.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.661 0.267 . . . . 0.0 110.533 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.661 HG11 ' HB3' ' A' 1017 ' ' ALA . 85.0 t -52.45 -51.81 69.3 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1009 ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' 1008 ' ' VAL . 41.7 Cg_endo -67.01 -22.24 48.29 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 121.963 1.775 . . . . 0.0 112.722 -175.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 74.9 p -95.17 3.0 55.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.25 0.548 . . . . 0.0 110.683 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.644 HG13 ' O ' ' A' 1007 ' ' SER . 77.0 mt -93.93 121.28 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 170.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -95.82 7.45 46.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.216 0.532 . . . . 0.0 110.706 -175.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1013 ' ' ASP . . . . . 0.41 ' H ' HG22 ' A' 1011 ' ' ILE . 24.0 t70 -105.45 117.98 35.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.349 170.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' 1018 ' ' MET . 25.2 tp60 -57.85 -46.63 84.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.752 -174.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -63.67 -44.48 93.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.86 -175.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 19.6 m -65.17 -39.54 93.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.863 0.363 . . . . 0.0 110.766 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.661 ' HB3' HG11 ' A' 1008 ' ' VAL . . . -65.85 -40.44 91.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.251 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1018 ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' 1014 ' ' GLN . 83.1 mtp -67.66 -28.88 68.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -64.68 -42.97 94.98 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 935' ' ' ALA . 13.8 mt -64.02 -47.29 80.84 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 176.536 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 34.6 t -57.22 -43.47 82.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.764 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -51.34 69.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 56.1 m -67.66 -46.22 73.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.281 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.08 96.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.092 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 20.7 pttp -65.62 -35.29 80.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.867 0.365 . . . . 0.0 110.607 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -76.01 -41.38 51.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.524 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1027 ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' 1031 ' ' LEU . 65.1 tp -60.71 -45.07 95.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.231 175.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.54 -41.82 97.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.376 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 8.8 m -72.23 -36.5 69.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.996 0.427 . . . . 0.0 110.321 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -58.76 -44.07 90.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.928 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1031 ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' 1027 ' ' LEU . 99.1 mt -65.61 -37.95 88.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.578 176.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -55.66 -56.2 23.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.636 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.98 -31.05 64.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.13 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 65.7 tp -63.93 -49.54 72.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.983 0.42 . . . . 0.0 110.306 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -56.19 -48.42 76.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.107 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 19.1 m -63.04 -42.88 99.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.29 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -69.13 -41.28 77.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.058 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.73 95.94 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.795 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1039 ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' 1043 ' ' GLU . 50.1 tt0 -59.89 -46.34 89.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.53 177.166 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -64.25 -41.85 96.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.744 -177.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -68.14 -28.5 67.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.217 0.532 . . . . 0.0 110.53 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1042 ' ' GLN . . . . . 0.46 ' HG2' HG22 ' A' ' 987' ' ' ILE . 0.0 OUTLIER -69.48 -35.12 75.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.257 179.743 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1043 ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' 1039 ' ' GLN . 8.9 pt-20 -98.03 12.62 33.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.399 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.857 -179.655 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.865 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 31.8 pt -103.9 -178.75 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.574 0.226 . . . . 0.0 111.036 -176.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . 0.471 ' HA ' ' HD3' ' A' ' 910' ' ' PRO . 1.5 m-20 -56.27 130.98 75.46 Favored Pre-proline 0 N--CA 1.465 0.275 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.975 176.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 909' ' ' ASP . 6.4 Cg_exo -73.58 95.31 0.87 Allowed 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 123.07 2.513 . . . . 0.0 111.575 176.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . 0.565 ' HA ' ' HG3' ' A' ' 915' ' ' GLN . 33.5 p90 -106.83 147.86 29.22 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.902 174.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 14.1 t 178.66 -167.43 0.07 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.702 -175.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' 1040 ' ' LYS . 95.8 mt -58.13 -46.17 86.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.567 -175.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . 0.518 HG11 ' HG3' ' A' ' 983' ' ' GLN . 15.9 m -69.77 -26.63 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.837 0.351 . . . . 0.0 110.996 -176.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . 0.565 ' HG3' ' HA ' ' A' ' 911' ' ' PHE . 86.6 mm-40 -72.57 -36.4 68.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.092 178.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -69.66 -34.96 74.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.565 174.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.6 -44.03 97.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.264 176.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -54.9 -52.69 62.09 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.042 0.448 . . . . 0.0 110.721 174.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -60.01 -32.88 71.29 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.806 -177.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -75.87 -43.27 46.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.748 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.73 99.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.919 0.39 . . . . 0.0 111.183 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.98 -45.8 90.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.046 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -73.65 -31.04 63.29 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.483 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.69 -46.65 78.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 176.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . 0.413 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -58.35 -43.53 88.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.451 176.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . 0.409 ' O ' ' HG3' ' A' ' 930' ' ' GLN . . . -62.93 -52.8 61.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.465 178.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 34.7 m -64.34 -32.74 74.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.061 -177.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . 0.581 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -64.86 -41.12 95.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.251 175.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 32.6 m -59.94 -42.87 94.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.248 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 926' ' ' ALA . 79.6 mt-30 -58.97 -45.8 89.66 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.328 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 19.9 m -68.86 -39.49 79.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.288 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 928' ' ' ALA . 63.6 mt -64.47 -43.7 96.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 177.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.79 -35.7 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.117 0.484 . . . . 0.0 110.569 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -73.65 -43.36 59.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.588 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -58.74 -45.79 88.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.313 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -63.61 -27.61 69.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.237 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -91.4 -45.11 8.75 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.617 -174.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . 0.429 ' HB2' ' HB3' ' A' 1016 ' ' SER . . . -79.66 -42.33 25.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.551 -176.132 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -101.42 89.44 3.75 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.17 0.51 . . . . 0.0 110.987 -177.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 20.0 m -95.12 -40.38 9.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.23 175.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -158.74 134.96 6.31 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.61 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.38 8.05 2.73 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.647 2.232 . . . . 0.0 112.953 -177.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . 0.602 ' HB3' ' HZ2' ' A' ' 943' ' ' LYS . 8.5 mtpm? 61.6 29.58 18.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.512 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -116.12 110.65 19.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.081 -176.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 38.0 m -81.48 -32.56 32.41 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.87 176.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -96.22 108.32 20.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.035 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 77.26 76.34 0.87 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.076 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.57 99.34 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.942 2.428 . . . . 0.0 112.169 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -127.09 102.12 24.77 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.892 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . 0.731 ' HB2' ' HB ' ' A' ' 953' ' ' VAL . 7.7 Cg_exo -74.01 -19.25 20.64 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.935 2.423 . . . . 0.0 113.309 -177.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 951' ' ' LEU . 4.3 mm? 61.88 -81.82 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.008 0.523 . . . . 0.0 111.97 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . 0.468 ' HB3' ' HB1' ' A' ' 935' ' ' ALA . 25.7 mt -56.02 -43.77 78.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.358 -178.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . 0.731 ' HB ' ' HB2' ' A' ' 950' ' ' PRO . 90.4 t -63.46 -29.04 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.829 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -72.02 -51.63 20.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.465 0.65 . . . . 0.0 109.87 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 955' ' ' SER . . . . . 0.427 ' O ' HG22 ' A' ' 959' ' ' VAL . 15.1 m -62.2 -44.01 97.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.613 -177.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . 0.694 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 20.8 p -63.39 -26.34 68.7 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -176.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 953' ' ' VAL . 39.2 mmtm -63.46 -49.49 73.44 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.797 0.332 . . . . 0.0 110.409 175.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.94 75.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.919 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.505 ' O ' HG13 ' A' ' 963' ' ' ILE . 87.1 t -62.95 -40.11 87.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 178.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -64.73 -14.18 57.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.623 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 36.1 mt-10 -88.99 -34.04 16.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.1 0.476 . . . . 0.0 110.198 176.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . 0.424 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 86.8 mm-40 -85.65 -27.09 25.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.129 -174.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.697 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 80.6 mt -55.53 -53.98 56.34 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 177.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . 0.697 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 31.7 Cg_exo -59.94 -31.22 93.35 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.966 1.777 . . . . 0.0 112.167 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 73.8 mt -68.57 -41.78 79.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.737 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.623 ' O ' HG21 ' A' ' 970' ' ' VAL . 46.1 mt -54.62 -59.95 4.01 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.075 0.464 . . . . 0.0 110.248 173.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 49.6 t -62.01 -32.55 54.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.271 -176.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -61.59 -43.79 98.21 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 174.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.82 -43.15 92.3 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.922 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.623 HG21 ' O ' ' A' ' 966' ' ' LEU . 39.4 t -57.71 -51.13 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 CA-C-O 120.973 0.416 . . . . 0.0 110.164 178.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -66.02 -26.41 67.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.67 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.92 -41.96 99.77 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.527 174.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 28.7 t -71.97 -21.97 61.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.347 0.594 . . . . 0.0 109.888 176.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -86.15 -2.39 58.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.648 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -116.0 -39.76 3.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.634 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . 0.409 ' HB3' ' HB2' ' A' ' 979' ' ' SER . 45.1 mt-30 -136.44 68.4 60.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.426 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.54 -33.06 57.92 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.545 2.164 . . . . 0.0 113.053 -174.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -83.68 -17.8 40.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.89 0.376 . . . . 0.0 110.633 -177.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 979' ' ' SER . . . . . 0.409 ' HB2' ' HB3' ' A' ' 976' ' ' GLN . 21.1 m -82.13 124.89 78.28 Favored Pre-proline 0 N--CA 1.443 -0.791 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.797 -177.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.51 -20.15 47.98 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.983 2.455 . . . . 0.0 112.327 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 2.1 m -57.9 -43.84 86.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.684 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.96 97.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.589 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . 0.518 ' HG3' HG11 ' A' ' 914' ' ' VAL . 2.0 mp0 -61.55 -51.31 69.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.666 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.17 -40.28 81.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.054 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.18 -50.32 70.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.766 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 8.6 mt -58.51 -53.05 62.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.502 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . 0.621 HD12 ' HA ' ' A' 1042 ' ' GLN . 75.0 mt -56.79 -47.06 83.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.927 -177.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -63.99 -51.58 63.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.129 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.23 93.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.374 -177.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.582 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 41.3 m -61.48 -49.39 76.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.213 -179.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . 0.728 ' HA ' HD12 ' A' ' 994' ' ' LEU . 77.1 mt-30 -67.52 -35.38 79.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.04 0.447 . . . . 0.0 110.685 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 32.5 t -66.25 -36.26 82.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.463 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.581 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 91.7 t80 -71.33 -32.71 68.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.0 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.728 HD12 ' HA ' ' A' ' 991' ' ' GLN . 74.7 mt -58.41 -32.75 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.208 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.687 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 61.7 tt0 -60.19 -63.4 4.31 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.917 -176.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . 0.687 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 72.1 Cg_endo -78.21 -28.3 4.84 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.484 1.456 . . . . 0.0 112.207 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.452 ' O ' HG21 ' A' 1001 ' ' VAL . . . -62.93 -49.88 68.54 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.159 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -63.44 -34.11 89.06 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.165 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 67.0 mttm -72.17 -31.81 66.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.443 0.163 . . . . 0.0 110.721 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 52.8 ttp -71.71 -33.92 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.452 HG21 ' O ' ' A' ' 997' ' ' GLY . 60.9 t -62.75 -45.32 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 173.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -60.89 -49.05 79.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.768 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -61.18 -42.25 98.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.801 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.549 ' O ' HG21 ' A' 1008 ' ' VAL . . . -59.16 -53.74 54.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.775 179.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.46 -36.54 78.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -74.56 -28.63 61.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.552 -177.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1007 ' ' SER . . . . . 0.487 ' O ' HG13 ' A' 1011 ' ' ILE . 56.7 p -81.62 -22.01 37.92 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.153 -0.219 . . . . 0.0 111.529 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.7 HG13 ' HB2' ' A' 1017 ' ' ALA . 75.9 t -50.44 -56.6 17.35 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1009 ' ' PRO . . . . . 0.478 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 73.2 Cg_endo -75.83 -4.86 15.75 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.03 1.82 . . . . 0.0 113.541 -177.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 26.6 p -101.41 -14.41 17.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.885 0.374 . . . . 0.0 111.355 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' 1007 ' ' SER . 66.9 mt -85.15 131.22 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.035 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -70.85 -32.65 69.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.905 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 21.3 t70 -79.12 107.55 11.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.481 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.47 -35.68 81.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.455 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.51 83.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.952 0.406 . . . . 0.0 110.756 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1016 ' ' SER . . . . . 0.429 ' HB3' ' HB2' ' A' ' 938' ' ' ALA . 20.3 m -65.4 -35.62 81.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.783 178.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.7 ' HB2' HG13 ' A' 1008 ' ' VAL . . . -62.78 -45.58 92.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.483 177.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 26.4 mmt -66.14 -37.7 86.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.639 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -60.1 -43.61 95.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.314 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.83 -44.01 94.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.033 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 29.6 t -59.59 -28.22 66.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.782 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -78.95 -53.11 7.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 60.2 m -62.27 -47.32 84.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.441 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.7 -27.23 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.201 -179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -70.83 -43.98 67.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.955 0.407 . . . . 0.0 109.953 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -64.72 -52.39 57.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.137 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1027 ' ' LEU . . . . . 0.437 ' O ' ' HG ' ' A' 1031 ' ' LEU . 58.9 tp -60.49 -46.48 89.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.132 -178.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.27 -44.37 96.55 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.822 -178.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.0 m -75.08 -32.68 61.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.85 0.357 . . . . 0.0 110.557 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.96 96.39 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1031 ' ' LEU . . . . . 0.545 HD23 HD23 ' A' ' 994' ' ' LEU . 95.9 mt -64.74 -32.84 74.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.808 176.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.34 -54.02 51.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.086 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.39 -28.0 46.89 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.871 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 65.4 tp -61.11 -50.16 74.38 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 120.891 0.376 . . . . 0.0 110.155 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -59.38 -41.18 88.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.526 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 24.4 m -68.56 -45.59 71.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -69.1 -37.25 78.31 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.099 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1038 ' ' ALA . . . . . 0.412 ' O ' ' HB2' ' A' 1042 ' ' GLN . . . -64.38 -35.97 82.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 178.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -74.13 -37.47 64.06 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1040 ' ' LYS . . . . . 0.463 ' HB3' HD21 ' A' ' 913' ' ' LEU . 46.9 mttm -56.19 -57.74 10.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.858 175.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -65.1 -21.33 66.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.272 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1042 ' ' GLN . . . . . 0.621 ' HA ' HD12 ' A' ' 987' ' ' ILE . 0.7 OUTLIER -75.62 -59.25 2.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.114 -177.118 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -108.95 26.35 10.71 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -172.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.228 173.853 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.869 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 67.4 mt -95.35 111.01 25.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.75 0.309 . . . . 0.0 110.28 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.32 135.8 50.08 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.066 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.83 11.22 2.6 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.667 2.245 . . . . 0.0 112.265 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . 0.414 ' HD1' ' HB3' ' A' ' 915' ' ' GLN . 90.6 m-85 -124.8 128.27 48.48 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.255 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 912' ' ' THR . . . . . 0.419 ' N ' ' HB2' ' A' ' 915' ' ' GLN . 38.3 p -78.64 -175.23 4.26 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 172.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.17 -43.18 87.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.616 0.246 . . . . 0.0 111.15 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . 0.455 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 22.8 m -79.45 -34.42 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.334 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . 0.419 ' HB2' ' N ' ' A' ' 912' ' ' THR . 79.0 mm-40 -62.61 -43.11 99.64 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.8 0.333 . . . . 0.0 111.054 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -67.09 -34.43 77.63 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.167 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . 0.776 ' HB3' HD13 ' A' ' 986' ' ' LEU . 9.6 mt -62.26 -48.75 78.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.804 177.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 69.2 mt-10 -52.1 -46.12 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.26 0.553 . . . . 0.0 111.199 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -79.98 -36.76 35.55 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.429 -174.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . 0.43 ' HA ' ' HG2' ' A' ' 923' ' ' GLN . . . -69.36 -37.25 77.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . 0.478 ' HB2' HG22 ' A' ' 970' ' ' VAL . . . -66.66 -40.76 88.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.928 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 7.5 mtmp? -68.61 -37.67 79.97 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.272 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . 0.43 ' HG2' ' HA ' ' A' ' 920' ' ' ALA . 10.8 pt20 -72.68 -33.67 66.69 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.05 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -66.0 -48.5 71.0 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.62 -43.36 89.62 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.876 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.05 -52.65 61.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.317 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 927' ' ' SER . . . . . 0.514 ' O ' ' HG2' ' A' ' 930' ' ' GLN . 50.9 m -62.4 -37.83 87.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.935 -178.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . 0.482 ' O ' HG13 ' A' ' 932' ' ' ILE . . . -61.41 -44.83 96.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.847 0.356 . . . . 0.0 110.452 177.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 86.1 m -55.8 -48.79 74.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.517 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 927' ' ' SER . 19.4 pt20 -69.63 -36.89 76.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.655 -176.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 30.4 m -63.54 -40.93 98.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.741 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.544 ' O ' ' HG3' ' A' ' 936' ' ' GLN . 67.2 mt -59.08 -45.92 92.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.76 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.99 95.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.965 0.412 . . . . 0.0 110.869 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . 0.488 ' HB3' ' HG3' ' A' 1019 ' ' GLN . . . -66.07 -40.39 90.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.221 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.727 ' HB2' ' HB3' ' A' ' 952' ' ' LEU . . . -60.91 -40.65 93.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.363 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . 0.544 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 69.7 mt-30 -64.15 -43.65 94.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.391 . . . . 0.0 110.504 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -64.62 -38.6 91.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.586 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -73.2 -29.43 62.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.258 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -78.57 15.78 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.685 -178.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 44.1 t -65.17 -43.23 92.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.509 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -144.99 94.43 5.35 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.916 0.389 . . . . 0.0 111.109 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -94.78 -176.63 0.44 Allowed 'Trans proline' 0 N--CA 1.45 -1.064 0 C-N-CA 123.577 2.852 . . . . 0.0 111.694 176.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -125.12 20.94 8.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.051 0.453 . . . . 0.0 110.092 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -64.4 139.79 58.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.833 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 27.6 p -124.23 -32.03 3.25 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.04 -176.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -91.58 -8.51 47.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.589 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . 0.448 ' HA2' ' HD3' ' A' ' 948' ' ' PRO . . . -131.33 123.02 3.62 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.909 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . 0.448 ' HD3' ' HA2' ' A' ' 947' ' ' GLY . 5.9 Cg_exo -77.55 -7.63 16.85 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 123.081 2.521 . . . . 0.0 111.911 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . 0.406 ' HA ' ' HD3' ' A' ' 950' ' ' PRO . 26.6 mm-40 -128.06 127.78 23.81 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.196 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 949' ' ' GLN . 32.0 Cg_exo -59.39 137.46 78.4 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.735 2.29 . . . . 0.0 111.929 178.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.93 -31.01 72.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.564 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . 0.727 ' HB3' ' HB2' ' A' ' 935' ' ' ALA . 91.6 mt -52.25 -64.16 0.91 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.47 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 35.2 m -59.82 -33.98 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-O 120.966 0.412 . . . . 0.0 111.731 -176.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -65.47 -46.88 78.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.326 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 955' ' ' SER . . . . . 0.437 ' O ' HG22 ' A' ' 959' ' ' VAL . 31.2 p -65.96 -36.1 82.39 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.758 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . 0.525 ' HB3' HG23 ' A' ' 932' ' ' ILE . 72.9 m -59.74 -35.36 74.41 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.76 0.314 . . . . 0.0 111.346 178.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 62.0 mttp -61.55 -46.46 89.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.802 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -69.17 -42.45 75.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.881 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.554 ' O ' HG13 ' A' ' 963' ' ' ILE . 85.8 t -59.37 -43.36 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.53 -24.53 65.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.896 -177.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -76.39 -30.28 57.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.791 0.329 . . . . 0.0 110.966 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.06 -21.93 18.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.951 -173.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 959' ' ' VAL . 74.4 mt -51.85 -54.23 42.56 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 18.1 Cg_endo -59.43 -24.86 76.49 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.236 1.957 . . . . 0.0 113.025 -178.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 39.4 mt -71.09 -38.12 72.42 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.576 0.227 . . . . 0.0 110.709 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 970' ' ' VAL . 84.4 mt -58.37 -55.88 29.29 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.257 0.551 . . . . 0.0 109.691 175.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . 0.423 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 26.8 t -61.68 -35.61 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.867 -176.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -57.35 -49.31 76.55 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 110.147 173.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -61.93 -41.94 99.7 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.022 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 966' ' ' LEU . 42.1 t -54.65 -55.27 16.27 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 120.865 0.364 . . . . 0.0 110.687 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 967' ' ' VAL . 19.2 mtm180 -61.48 -33.03 73.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.084 -177.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -68.45 -43.57 77.32 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.018 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 973' ' ' SER . . . . . 0.584 ' HA ' ' HB1' ' A' ' 982' ' ' ALA . 36.8 t -66.63 -39.12 88.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.571 0.224 . . . . 0.0 111.019 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 19.0 mt-30 -59.6 -38.7 81.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.943 0.401 . . . . 0.0 110.583 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -76.24 -34.0 59.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.99 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -126.36 95.57 38.26 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.836 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.74 -21.75 69.68 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 C-N-CA 123.293 2.662 . . . . 0.0 113.469 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -149.44 83.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.095 0.474 . . . . 0.0 110.196 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 51.9 m -147.38 137.01 11.96 Favored Pre-proline 0 N--CA 1.444 -0.761 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.901 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.18 -47.39 27.01 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.102 2.535 . . . . 0.0 112.501 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 70.4 m -62.75 -35.1 78.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.715 0.293 . . . . 0.0 111.608 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . 0.584 ' HB1' ' HA ' ' A' ' 973' ' ' SER . . . -71.91 -48.81 42.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.119 0.485 . . . . 0.0 110.587 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . 0.434 ' HG2' HG11 ' A' ' 914' ' ' VAL . 76.9 mt-30 -66.17 -45.41 80.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.394 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.85 -39.54 89.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.116 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.48 95.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.79 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . 0.776 HD13 ' HB3' ' A' ' 917' ' ' LEU . 10.2 mt -72.03 -55.71 6.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.576 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . . . . . . . . . 82.6 mt -56.92 -50.74 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.489 -174.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.02 91.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.113 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -66.91 -44.01 81.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.659 -177.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.657 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.7 m -58.21 -50.55 73.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.113 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . 0.724 ' HA ' HD13 ' A' ' 994' ' ' LEU . 95.4 mt-30 -66.14 -33.58 76.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.029 0.443 . . . . 0.0 110.821 -178.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 64.9 m -70.79 -26.17 63.2 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.023 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.543 ' HE2' HD23 ' A' 1031 ' ' LEU . 74.4 t80 -82.15 -33.48 29.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.948 0.404 . . . . 0.0 110.38 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.724 HD13 ' HA ' ' A' ' 991' ' ' GLN . 79.2 mt -57.9 -40.11 79.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.921 -178.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.534 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 16.6 tp60 -64.49 -58.54 13.3 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.989 -174.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 54.0 Cg_endo -71.82 -31.75 12.46 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 121.836 1.691 . . . . 0.0 112.159 177.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.454 ' O ' HG22 ' A' 1001 ' ' VAL . . . -62.97 -44.45 97.37 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.817 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.17 -28.72 71.18 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.09 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -66.84 -39.22 87.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.456 0.17 . . . . 0.0 110.728 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 48.7 ttp -73.28 -33.49 65.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.012 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 997' ' ' GLY . 56.4 t -62.59 -48.86 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.981 174.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -64.02 -42.44 97.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.987 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.48 93.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.84 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.514 ' O ' HG23 ' A' 1008 ' ' VAL . . . -60.55 -53.38 58.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.03 -29.69 71.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.968 0.414 . . . . 0.0 111.593 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -81.75 -21.84 37.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.397 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1007 ' ' SER . . . . . 0.419 ' O ' HG13 ' A' 1011 ' ' ILE . 50.6 m -86.56 -23.27 25.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.986 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' 1004 ' ' ALA . 85.8 t -50.81 -57.63 12.87 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1009 ' ' PRO . . . . . 0.473 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 54.8 Cg_endo -69.67 -20.81 34.8 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.95 1.767 . . . . 0.0 113.381 -176.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 29.3 p -84.86 -13.61 50.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.802 0.334 . . . . 0.0 111.749 -176.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' 1007 ' ' SER . 90.7 mt -94.22 126.86 46.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.424 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -68.75 -41.19 79.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.995 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.25 108.66 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 110.41 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.542 ' O ' ' HG3' ' A' 1018 ' ' MET . 45.8 mt-30 -70.08 -26.18 63.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.383 -175.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -62.4 -49.13 76.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.649 0.261 . . . . 0.0 110.64 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 38.2 m -66.13 -35.69 81.16 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.364 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -63.46 -48.08 79.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1018 ' ' MET . . . . . 0.542 ' HG3' ' O ' ' A' 1014 ' ' GLN . 83.9 mtp -63.24 -34.88 78.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.009 0.433 . . . . 0.0 110.298 177.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1019 ' ' GLN . . . . . 0.488 ' HG3' ' HB3' ' A' ' 934' ' ' ALA . 50.7 tp60 -61.7 -46.04 91.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.133 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.727 ' HA ' ' SG ' ' A' 1023 ' ' CYS . 26.2 mt -69.13 -40.86 78.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.246 177.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 32.3 t -56.71 -43.36 80.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1022 ' ' GLN . . . . . 0.49 ' O ' ' HG2' ' A' 1025 ' ' LYS . 6.4 tp60 -67.89 -54.57 17.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.744 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1023 ' ' CYS . . . . . 0.727 ' SG ' ' HA ' ' A' 1020 ' ' LEU . 24.8 p -63.43 -42.09 98.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.608 0.242 . . . . 0.0 111.427 -174.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.54 86.55 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1025 ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' 1022 ' ' GLN . 14.4 ptmm? -72.57 -29.69 63.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.175 -179.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.17 -52.66 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.984 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 43.3 tp -61.13 -40.54 94.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.666 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.77 -50.55 66.2 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.534 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 6.4 m -69.81 -33.24 72.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.821 0.343 . . . . 0.0 110.762 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -62.03 -49.2 76.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.288 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1031 ' ' LEU . . . . . 0.543 HD23 ' HE2' ' A' ' 993' ' ' PHE . 95.3 mt -64.93 -32.17 73.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.737 178.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.2 -55.73 25.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.536 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -81.68 -20.93 38.52 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.323 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -45.3 68.51 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -64.07 -40.89 97.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.301 176.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1036 ' ' THR . . . . . 0.553 HG21 ' HE2' ' A' 1040 ' ' LYS . 61.8 m -66.0 -35.84 81.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.802 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.83 -53.1 52.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.019 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.12 80.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.171 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -62.97 -52.51 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.693 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1040 ' ' LYS . . . . . 0.553 ' HE2' HG21 ' A' 1036 ' ' THR . 58.1 mtmt -68.7 -20.84 64.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.76 0.314 . . . . 0.0 111.288 -177.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -83.26 -20.76 33.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.88 0.371 . . . . 0.0 110.833 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1042 ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' 1042 ' ' GLN . 1.0 OUTLIER -102.29 -40.33 6.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.198 -176.648 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -132.85 69.35 1.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.523 0.678 . . . . 0.0 111.352 -173.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.85 173.55 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . 0.436 ' H ' HD11 ' A' ' 908' ' ' ILE . 0.2 OUTLIER -130.58 154.16 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 122.649 -0.324 . . . . 0.0 110.362 178.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -124.04 90.72 50.43 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 121.212 0.53 . . . . 0.0 109.747 176.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -89.89 34.71 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.339 2.692 . . . . 0.0 112.4 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . 0.442 ' CD2' HG23 ' A' ' 912' ' ' THR . 44.2 t80 -56.5 -57.52 11.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.906 178.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 912' ' ' THR . . . . . 0.442 HG23 ' CD2' ' A' ' 911' ' ' PHE . 45.0 p -136.0 171.23 14.78 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 174.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.514 HD13 ' HB1' ' A' 1044 ' ' ALA . 85.8 mt -73.64 -39.83 64.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.809 0.338 . . . . 0.0 110.277 176.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 30.9 m -69.72 -25.8 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.591 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -56.22 -43.15 78.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.196 173.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -72.67 -39.88 66.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.79 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . 0.48 ' HG ' HD21 ' A' ' 986' ' ' LEU . 62.0 tp -55.51 -46.28 76.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.051 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -53.42 -53.29 53.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.18 0.514 . . . . 0.0 111.141 177.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -69.98 -33.07 71.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.068 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -69.37 -38.8 78.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.703 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -68.57 -38.99 81.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.865 0.364 . . . . 0.0 110.643 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -61.5 -50.72 71.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.941 177.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -66.98 -30.44 70.55 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.723 0.297 . . . . 0.0 110.567 -178.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.0 -49.42 61.68 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.124 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.68 84.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.39 177.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -61.79 -55.36 30.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.269 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 47.3 m -63.93 -35.12 79.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.407 -176.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . 0.501 ' HB1' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.83 -44.72 96.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.887 0.375 . . . . 0.0 110.213 176.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 28.4 m -61.15 -40.73 94.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.495 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -62.21 -38.6 89.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.755 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 19.0 m -71.83 -46.02 59.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.683 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.53 HG23 ' HB3' ' A' ' 956' ' ' CYS . 69.1 mt -59.34 -48.15 88.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 120.719 0.295 . . . . 0.0 111.641 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -57.88 -36.08 71.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.429 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -82.52 -44.44 15.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.691 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -62.31 -41.82 98.86 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -174.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -78.05 8.69 4.45 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -137.01 -37.63 0.65 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -100.97 -16.05 17.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -174.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . 0.407 ' C ' ' HG ' ' A' ' 940' ' ' SER . . . -82.05 68.3 8.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.052 0.453 . . . . 0.0 111.479 -176.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 940' ' ' SER . . . . . 0.407 ' HG ' ' C ' ' A' ' 939' ' ' ALA . 54.8 m -157.88 142.68 16.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.924 178.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -85.9 111.64 39.41 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.48 156.38 56.91 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.988 2.459 . . . . 0.0 112.674 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 71.33 -64.69 0.37 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.653 0.781 . . . . 0.0 111.658 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -67.76 -19.73 65.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.424 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 8.9 p -159.43 173.32 16.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.542 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -110.49 -36.28 5.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.204 0.526 . . . . 0.0 110.062 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 167.4 88.72 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.487 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -83.63 1.85 8.67 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.741 2.294 . . . . 0.0 112.678 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 50.89 73.67 0.94 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.964 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -57.64 -49.84 12.25 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.915 2.41 . . . . 0.0 112.476 -175.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . 0.813 HD11 ' HB1' ' A' 1003 ' ' ALA . 0.7 OUTLIER -170.19 -42.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.671 -179.502 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . 0.691 ' HB3' ' HB1' ' A' ' 935' ' ' ALA . 12.6 mt -47.77 -57.58 5.41 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.672 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . 0.453 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 43.8 t -53.88 -37.12 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.578 -176.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -70.98 -42.76 69.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.656 -179.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 22.7 m -64.89 -40.56 95.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.731 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . 0.53 ' HB3' HG23 ' A' ' 932' ' ' ILE . 73.4 m -56.2 -33.26 65.15 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 178.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 62.7 mttm -62.51 -50.0 73.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.45 178.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.25 80.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 963' ' ' ILE . 91.6 t -64.15 -42.23 94.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.243 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.93 -23.31 65.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.853 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 15.1 mm-40 -83.87 -20.16 33.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.755 0.312 . . . . 0.0 110.798 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . 0.405 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 14.3 mm100 -95.71 -24.55 16.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.581 -177.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 959' ' ' VAL . 74.0 mt -53.19 -55.76 30.83 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . 0.439 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 18.5 Cg_endo -59.5 -33.76 97.12 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.905 1.736 . . . . 0.0 112.007 179.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.8 -37.87 89.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.789 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.63 ' O ' HG23 ' A' ' 970' ' ' VAL . 85.7 mt -56.64 -56.85 16.21 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.999 173.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.22 -36.37 75.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.375 -175.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 964' ' ' PRO . 78.4 mt-30 -58.91 -42.94 90.85 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.878 0.371 . . . . 0.0 110.044 173.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.3 -43.81 92.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.964 176.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 966' ' ' LEU . 39.5 t -56.85 -43.62 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.007 0.432 . . . . 0.0 110.14 177.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -57.03 -41.06 77.91 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.084 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.03 -46.55 93.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.438 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 16.0 t -69.03 -34.89 75.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.754 0.311 . . . . 0.0 110.637 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -63.99 -38.3 90.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.813 0.339 . . . . 0.0 110.469 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -72.17 -55.66 6.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.782 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -136.19 95.21 13.47 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -67.16 -21.87 47.89 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.29 1.993 . . . . 0.0 111.289 175.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.84 -14.36 59.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.739 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 979' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 983' ' ' GLN . 32.8 t -82.92 115.42 58.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 -175.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . 0.545 ' O ' ' HG ' ' A' ' 984' ' ' LEU . 18.0 Cg_exo -66.03 -34.74 36.86 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.411 2.074 . . . . 0.0 110.927 175.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 15.8 m -63.25 -41.99 99.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.708 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.6 91.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.498 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 979' ' ' SER . 53.9 mm-40 -66.03 -43.77 86.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.92 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 980' ' ' PRO . 93.7 mt -55.95 -38.94 71.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.866 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.59 80.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.674 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . 0.48 HD21 ' HG ' ' A' ' 917' ' ' LEU . 0.7 OUTLIER -63.84 -52.44 60.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.372 -179.292 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . . . . . . . . . 84.7 mt -58.09 -49.59 80.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.263 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -60.44 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.159 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.11 83.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.291 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.513 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 51.9 m -65.89 -45.67 81.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . 0.462 ' HA ' HD13 ' A' ' 994' ' ' LEU . 95.4 mt-30 -69.26 -37.41 77.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.882 0.373 . . . . 0.0 110.435 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 73.5 m -75.37 -5.87 47.05 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.272 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.501 ' HZ ' ' HB1' ' A' ' 928' ' ' ALA . 78.2 t80 -95.04 -31.6 13.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.072 0.463 . . . . 0.0 109.862 175.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 990' ' ' SER . 61.2 mt -59.34 -40.4 86.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.468 177.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.825 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 52.2 tt0 -54.66 -63.71 2.61 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.759 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . 0.825 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 12.2 Cg_exo -70.7 -33.65 12.69 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 121.897 1.732 . . . . 0.0 111.977 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.453 ' O ' HG22 ' A' 1001 ' ' VAL . . . -62.1 -49.43 75.07 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.463 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.22 -34.71 85.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.084 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.77 -37.6 86.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.817 0.341 . . . . 0.0 110.582 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 46.7 ttp -73.8 -33.14 64.09 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.233 -177.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 997' ' ' GLY . 58.1 t -62.56 -45.43 98.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.963 0.411 . . . . 0.0 110.03 175.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.1 88.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.604 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1003 ' ' ALA . . . . . 0.813 ' HB1' HD11 ' A' ' 951' ' ' LEU . . . -65.28 -41.73 93.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.822 177.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.623 ' O ' HG21 ' A' 1008 ' ' VAL . . . -60.71 -51.99 67.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.965 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.18 -32.1 66.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.656 -178.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -84.64 -21.87 30.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.675 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1007 ' ' SER . . . . . 0.476 ' O ' HG13 ' A' 1011 ' ' ILE . 14.4 t -90.67 -24.54 20.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.653 0.263 . . . . 0.0 110.893 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.623 HG21 ' O ' ' A' 1004 ' ' ALA . 84.6 t -55.03 -51.03 82.96 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1009 ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' 1008 ' ' VAL . 35.2 Cg_endo -65.36 -20.82 61.61 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.871 1.714 . . . . 0.0 112.954 -176.26 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 72.8 p -84.93 -14.66 46.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.124 0.488 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' 1007 ' ' SER . 61.8 mt -81.88 116.08 25.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -86.83 -2.33 58.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.905 0.383 . . . . 0.0 110.974 -177.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.14 121.14 31.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.538 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1014 ' ' GLN . . . . . 0.481 ' O ' ' HG3' ' A' 1018 ' ' MET . 80.9 mm-40 -63.55 -59.27 4.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.634 -171.067 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -61.94 -39.07 90.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.736 0.303 . . . . 0.0 111.102 -176.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 19.1 m -62.8 -44.38 96.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.891 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.411 ' HB1' ' HB ' ' A' 1011 ' ' ILE . . . -70.35 -41.8 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.137 -179.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1018 ' ' MET . . . . . 0.481 ' HG3' ' O ' ' A' 1014 ' ' GLN . 92.5 mtp -61.83 -42.47 99.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.283 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -68.14 -38.5 82.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.549 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.547 HD13 HD11 ' A' ' 952' ' ' LEU . 2.1 tm? -61.0 -44.84 96.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.866 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1021 ' ' SER . . . . . 0.443 ' HB2' HG22 ' A' 1008 ' ' VAL . 47.9 t -68.38 -33.97 75.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -63.25 -48.0 80.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.22 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 72.0 m -60.63 -41.83 95.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.829 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.0 97.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 177.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -62.95 -44.88 94.85 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.441 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.32 -47.09 80.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.64 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 60.8 tp -63.58 -44.28 94.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.16 -39.63 92.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.165 -0.54 . . . . 0.0 112.439 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.8 m -77.42 -36.44 53.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 110.783 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.29 92.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.257 176.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.43 -31.04 68.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.769 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.54 -57.07 12.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.77 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.68 -22.48 34.54 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.046 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.38 -43.58 98.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.297 0.57 . . . . 0.0 109.715 174.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 32.0 ttp-105 -59.4 -40.23 85.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.652 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 29.4 m -72.2 -45.7 59.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.009 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -59.32 -50.39 74.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.38 -35.83 80.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1039 ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' 1043 ' ' GLU . 34.8 tt0 -67.28 -51.48 52.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -67.0 -31.38 71.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.898 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -68.91 -35.61 77.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.079 0.466 . . . . 0.0 110.262 175.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -68.52 -33.87 74.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.972 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1043 ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' 1039 ' ' GLN . 43.4 mt-10 -74.72 -38.42 62.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.101 177.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1044 ' ' ALA . . . . . 0.514 ' HB1' HD13 ' A' ' 913' ' ' LEU . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.09 -176.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.646 -0.582 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 14.5 tt -120.59 138.13 52.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.123 0.487 . . . . 0.0 111.163 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -127.15 83.71 65.32 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.775 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -102.86 -161.75 0.04 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.546 0 C-N-CA 123.533 2.822 . . . . 0.0 112.555 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 911' ' ' PHE . . . . . 0.483 ' HB3' ' OE1' ' A' ' 915' ' ' GLN . 69.7 t80 -162.76 -45.61 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 176.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 67.1 p -127.05 173.51 9.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.858 -1.065 . . . . 0.0 108.865 168.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 913' ' ' LEU . . . . . 0.503 ' HA ' ' HD3' ' A' ' 916' ' ' ARG . 64.0 mt -80.15 -20.41 44.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.403 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 914' ' ' VAL . . . . . 0.543 HG12 ' HG2' ' A' ' 983' ' ' GLN . 26.3 m -87.15 -26.55 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 915' ' ' GLN . . . . . 0.483 ' OE1' ' HB3' ' A' ' 911' ' ' PHE . 55.5 mt-30 -67.7 -18.41 64.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.228 0.537 . . . . 0.0 110.581 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 916' ' ' ARG . . . . . 0.62 ' NH2' ' HA ' ' A' 1037 ' ' ALA . 20.6 mtp-105 -67.38 -34.15 76.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.691 173.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 917' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 914' ' ' VAL . 20.9 mt -70.09 -40.03 75.22 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.009 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 918' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 83.5 mt-10 -53.75 -48.9 69.24 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.523 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -61.16 -53.96 50.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.988 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.42 73.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.67 -175.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -63.65 -35.31 80.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -173.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 922' ' ' LYS . . . . . 0.429 ' CG ' HG12 ' A' ' 970' ' ' VAL . 55.4 mtmt -59.36 -54.32 48.13 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.708 0.289 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -80.5 -17.65 50.93 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.278 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.52 -48.89 63.18 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 172.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 925' ' ' ALA . . . . . 0.724 ' HB2' HG21 ' A' ' 963' ' ' ILE . . . -60.05 -37.6 80.31 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.663 176.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.42 -54.9 21.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.911 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 42.7 m -60.29 -34.71 74.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.139 -178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 928' ' ' ALA . . . . . 0.517 ' HB3' ' HZ ' ' A' ' 993' ' ' PHE . . . -62.25 -46.3 89.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.555 176.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 42.1 m -61.31 -36.16 79.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.538 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -68.02 -40.22 82.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.715 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 23.5 m -66.21 -39.41 89.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.496 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 932' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 928' ' ' ALA . 79.2 mt -63.83 -41.64 93.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.279 176.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -62.84 -39.48 94.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.669 177.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.41 89.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.657 176.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 935' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 952' ' ' LEU . . . -64.24 -43.42 94.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.26 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -76.06 -4.91 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 0.0 111.641 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -106.8 -9.52 16.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.571 0.701 . . . . 0.0 109.302 173.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 938' ' ' ALA . . . . . 0.556 ' HB2' HD13 ' A' 1011 ' ' ILE . . . -87.11 -36.6 18.02 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.766 176.621 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -115.2 68.92 0.71 Allowed 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.139 175.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 54.6 m -75.57 -41.32 55.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.164 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -75.22 116.43 54.35 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.682 175.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.94 105.84 0.48 Allowed 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.008 2.472 . . . . 0.0 112.179 -177.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 943' ' ' LYS . . . . . 0.683 ' HZ1' ' HB2' ' A' ' 943' ' ' LYS . 8.5 mtmp? 73.91 -51.32 0.69 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.577 0.751 . . . . 0.0 111.335 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . 74.88 123.59 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.663 0.785 . . . . 0.0 110.885 -177.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 37.4 m -58.01 112.5 1.53 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.23 -177.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . 64.12 21.22 12.5 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.133 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . -97.58 -173.63 33.7 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.81 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -94.2 112.84 0.19 Allowed 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 123.235 2.623 . . . . 0.0 112.565 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 949' ' ' GLN . . . . . 0.513 ' HG3' ' HA ' ' A' ' 943' ' ' LYS . 1.0 OUTLIER -76.96 117.15 63.07 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 174.533 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -83.57 159.1 14.51 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.776 2.317 . . . . 0.0 112.605 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 6.1 mp -84.19 0.02 50.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.734 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 952' ' ' LEU . . . . . 0.602 HD21 ' HA ' ' A' 1004 ' ' ALA . 95.6 mt -50.63 -53.24 32.4 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.429 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 953' ' ' VAL . . . . . 0.652 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 48.0 t -54.24 -41.71 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.14 -176.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 954' ' ' GLN . . . . . 0.696 ' HA ' ' HE2' ' A' ' 957' ' ' LYS . 26.6 mm-40 -64.11 -52.58 58.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.884 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 955' ' ' SER . . . . . 0.413 ' O ' HG22 ' A' ' 959' ' ' VAL . 16.7 m -64.95 -41.08 95.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.176 -178.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 87.0 m -59.4 -38.12 79.76 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.606 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 957' ' ' LYS . . . . . 0.696 ' HE2' ' HA ' ' A' ' 954' ' ' GLN . 51.9 mtmt -56.68 -53.61 55.68 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 120.755 0.312 . . . . 0.0 110.193 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 958' ' ' ALA . . . . . 0.49 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -61.76 -48.38 80.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.277 -178.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 959' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 963' ' ' ILE . 95.6 t -59.33 -43.3 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.195 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -63.03 -19.81 64.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.786 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 961' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 66.8 mt-10 -90.34 -22.75 21.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.012 0.434 . . . . 0.0 110.616 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 962' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 958' ' ' ALA . 16.3 mm100 -89.73 -25.85 20.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 963' ' ' ILE . . . . . 0.724 HG21 ' HB2' ' A' ' 925' ' ' ALA . 83.2 mt -55.17 -54.25 52.55 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.03 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 964' ' ' PRO . . . . . 0.458 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 18.0 Cg_endo -59.04 -31.53 95.81 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.02 1.813 . . . . 0.0 112.159 177.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 70.7 mt -68.64 -39.1 80.9 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.816 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 966' ' ' LEU . . . . . 0.588 ' O ' HG21 ' A' ' 970' ' ' VAL . 66.9 mt -57.3 -59.54 4.96 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.087 0.47 . . . . 0.0 109.934 173.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.59 -34.19 60.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.099 -175.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 968' ' ' GLN . . . . . 0.779 HE21 ' HA ' ' A' ' 968' ' ' GLN . 0.0 OUTLIER -59.41 -43.45 93.0 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.056 0.455 . . . . 0.0 109.986 174.644 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -69.88 -43.49 65.88 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.033 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 970' ' ' VAL . . . . . 0.588 HG21 ' O ' ' A' ' 966' ' ' LEU . 58.2 t -58.11 -55.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.893 0.378 . . . . 0.0 111.057 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 971' ' ' ARG . . . . . 0.436 ' HA ' HE21 ' A' ' 974' ' ' GLN . 82.9 mtp180 -68.12 -23.66 64.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.705 -177.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -71.6 -44.37 49.72 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.704 174.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 27.8 t -66.29 -34.84 78.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 110.331 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 974' ' ' GLN . . . . . 0.436 HE21 ' HA ' ' A' ' 971' ' ' ARG . 49.0 mt-30 -65.85 -38.76 89.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.177 175.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -66.54 -49.57 66.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.812 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -129.72 89.49 46.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -76.4 -4.69 15.36 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.706 2.271 . . . . 0.0 112.441 178.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -99.0 -27.99 13.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.627 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 71.4 m -86.32 111.83 41.76 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.637 -173.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -61.62 -23.55 76.59 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.196 2.597 . . . . 0.0 112.43 -175.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 2.6 m -59.5 -41.82 90.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.227 178.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -67.55 -41.92 83.48 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.537 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 983' ' ' GLN . . . . . 0.543 ' HG2' HG12 ' A' ' 914' ' ' VAL . 2.3 mp0 -60.3 -52.38 65.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.324 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.87 -33.12 73.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.412 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.15 -32.23 73.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.976 0.417 . . . . 0.0 110.559 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 986' ' ' LEU . . . . . 0.423 HD21 ' HB3' ' A' ' 917' ' ' LEU . 2.3 tt -79.24 -47.79 15.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.529 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 987' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 983' ' ' GLN . 73.8 mt -57.48 -50.59 76.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.28 -177.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.74 92.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.028 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.01 94.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 990' ' ' SER . . . . . 0.544 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 37.1 m -61.92 -46.62 88.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.697 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 991' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -59.08 -43.5 91.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.237 0.541 . . . . 0.0 110.534 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 16.6 t -80.34 1.44 28.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.893 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 993' ' ' PHE . . . . . 0.517 ' HZ ' ' HB3' ' A' ' 928' ' ' ALA . 81.8 t80 -102.91 -31.37 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.108 0.48 . . . . 0.0 109.804 175.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 994' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 990' ' ' SER . 72.0 mt -58.39 -42.32 86.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.529 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 995' ' ' GLN . . . . . 0.588 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 7.8 tt0 -58.04 -64.45 2.74 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.926 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 996' ' ' PRO . . . . . 0.588 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 55.5 Cg_endo -69.93 -30.81 20.89 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 121.677 1.585 . . . . 0.0 112.179 -179.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 997' ' ' GLY . . . . . 0.486 ' O ' HG22 ' A' 1001 ' ' VAL . . . -65.22 -53.02 35.56 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.093 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.99 90.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.808 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -65.91 -38.31 88.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.714 -0.243 . . . . 0.0 111.076 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 51.7 ttp -72.75 -31.5 64.97 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.355 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1001 ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 997' ' ' GLY . 93.4 t -61.13 -48.64 88.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 173.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -63.87 -44.87 91.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.701 178.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.94 95.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.954 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1004 ' ' ALA . . . . . 0.602 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -60.31 -48.05 83.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.535 177.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 63.7 mttm -60.12 -40.57 90.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.231 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -72.69 -17.91 61.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.533 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1007 ' ' SER . . . . . 0.442 ' O ' HG13 ' A' 1011 ' ' ILE . 46.2 m -87.41 -28.25 22.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.986 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1008 ' ' VAL . . . . . 0.66 HG11 ' HB1' ' A' 1017 ' ' ALA . 98.9 t -51.47 -53.01 54.45 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -177.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1009 ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' 1008 ' ' VAL . 41.7 Cg_endo -68.1 -24.51 38.6 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.806 1.671 . . . . 0.0 112.847 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 63.0 p -87.04 7.49 27.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.155 0.502 . . . . 0.0 111.21 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1011 ' ' ILE . . . . . 0.556 HD13 ' HB2' ' A' ' 938' ' ' ALA . 86.6 mt -119.26 129.28 75.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.868 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -87.33 -16.07 36.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.046 0.45 . . . . 0.0 110.714 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 12.5 t70 -80.7 114.54 19.66 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -14.11 58.3 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.771 -173.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -73.04 -49.41 28.85 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1016 ' ' SER . . . . . 0.45 ' HB3' ' HA ' ' A' ' 938' ' ' ALA . 44.0 m -67.14 -36.6 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.25 175.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1017 ' ' ALA . . . . . 0.66 ' HB1' HG11 ' A' 1008 ' ' VAL . . . -62.84 -47.56 82.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.337 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1018 ' ' MET . . . . . 0.837 ' HA ' ' HE1' ' A' 1018 ' ' MET . 21.2 mmt -71.17 -34.96 71.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.834 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -61.75 -43.47 98.78 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 176.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1020 ' ' LEU . . . . . 0.416 HD22 ' HB3' ' A' 1004 ' ' ALA . 17.6 mt -59.93 -50.45 73.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.23 175.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 41.7 t -57.13 -42.14 80.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.123 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -69.53 -45.11 69.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.823 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 77.8 m -65.67 -46.39 79.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.963 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1024 ' ' ALA . . . . . 0.408 ' HB2' HG11 ' A' 1001 ' ' VAL . . . -60.06 -35.23 74.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.745 0.307 . . . . 0.0 111.098 178.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -65.38 -47.38 76.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 110.458 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -66.5 -46.37 76.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.04 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.69 -42.39 97.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.435 177.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.95 -45.95 94.38 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.342 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 8.9 m -70.27 -34.2 72.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.065 0.46 . . . . 0.0 110.504 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.1 -45.37 95.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.277 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 96.5 mt -68.66 -32.72 72.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.62 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.65 -49.5 77.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.047 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.99 -29.77 49.84 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.76 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 54.1 tp -65.38 -46.0 81.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.541 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -63.1 -47.06 84.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 11.1 m -61.81 -35.82 79.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.153 0.501 . . . . 0.0 110.495 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1037 ' ' ALA . . . . . 0.62 ' HA ' ' NH2' ' A' ' 916' ' ' ARG . . . -67.87 -51.24 50.45 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.56 177.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.8 90.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.264 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1039 ' ' GLN . . . . . 0.455 ' O ' ' HG2' ' A' 1043 ' ' GLU . 49.1 tt0 -56.29 -60.69 3.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.695 178.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1040 ' ' LYS . . . . . 0.478 ' O ' HD12 ' A' ' 913' ' ' LEU . 56.3 mtmt -80.82 13.75 2.5 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.633 -176.257 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -113.15 -7.27 13.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.109 0.481 . . . . 0.0 109.951 172.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.79 -59.77 1.8 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.484 -178.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1043 ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' 1039 ' ' GLN . 10.9 pt-20 -88.65 2.99 52.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.923 -176.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.17 -0.919 . . . . 0.0 109.726 179.396 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' 1041 ' ' ALA . 60.1 mt . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 120.734 0.302 . . . . 0.0 111.439 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 914' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 29.2 m -72.71 -22.28 20.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.83 -51.14 66.8 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.379 177.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 916' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 916' ' ' ARG . 11.7 ptp180 -73.59 -30.52 63.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.609 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 917' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' A' 1038 ' ' ALA . 21.2 mt -61.09 -52.82 63.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.777 176.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.562 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 37.7 mt-10 -51.22 -54.38 26.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.231 0.539 . . . . 0.0 110.7 178.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -65.52 -44.81 85.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.102 -174.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.39 77.22 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.366 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -68.22 -36.25 79.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.352 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 922' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 94.0 mttt -61.71 -52.15 65.46 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.834 0.35 . . . . 0.0 110.489 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -70.31 -27.39 64.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.666 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 924' ' ' ALA . . . . . 0.493 ' HA ' ' HB1' ' A' 1030 ' ' ALA . . . -67.26 -49.84 62.81 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 925' ' ' ALA . . . . . 0.468 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -58.39 -42.46 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.73 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.24 -52.76 60.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.284 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 47.0 m -66.64 -34.51 78.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.363 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 928' ' ' ALA . . . . . 0.551 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.55 -49.08 78.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.714 0.292 . . . . 0.0 110.847 178.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 45.5 m -56.37 -42.84 78.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.885 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -65.51 -42.25 92.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.054 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 931' ' ' THR . . . . . 0.422 ' HA ' ' HB3' ' A' 1023 ' ' CYS . 25.3 m -64.09 -42.77 96.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.687 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.61 ' O ' ' HG2' ' A' ' 936' ' ' GLN . 89.9 mt -59.27 -47.73 89.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 933' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 937' ' ' HIS . . . -61.51 -27.61 68.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.763 -177.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -87.71 -41.94 12.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.32 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -61.1 -51.58 68.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.815 -175.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 936' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 13.8 pt20 -85.85 6.95 25.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.517 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 937' ' ' HIS . . . . . 0.45 ' HB2' ' O ' ' A' ' 933' ' ' ALA . 62.9 t-80 . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 109.936 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.629 HD12 ' HB2' ' A' 1003 ' ' ALA . 1.8 tm? . . . . . 0 C--O 1.233 0.222 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 952' ' ' LEU . . . . . 0.619 HD21 ' HA ' ' A' 1004 ' ' ALA . 62.8 mt -50.5 -64.81 0.69 Allowed 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.191 173.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 98.6 t -60.6 -36.79 72.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.6 -174.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -63.29 -38.4 91.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.197 0.523 . . . . 0.0 110.544 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 36.5 m -81.2 -32.62 33.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.718 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 956' ' ' CYS . . . . . 0.545 ' HB3' HG23 ' A' ' 932' ' ' ILE . 93.4 m -56.01 -47.24 78.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.191 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -66.4 -35.45 80.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.404 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 958' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -67.11 -52.38 42.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.065 0.459 . . . . 0.0 110.448 177.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.535 ' O ' HG13 ' A' ' 963' ' ' ILE . 71.6 t -59.83 -41.33 85.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.26 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -56.02 -33.92 65.36 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -86.69 -14.34 42.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.676 0.274 . . . . 0.0 111.441 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 962' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 958' ' ' ALA . 29.7 mm-40 -90.73 -25.83 19.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.815 0.341 . . . . 0.0 110.498 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.688 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 91.3 mt -53.37 -53.57 54.95 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.138 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.688 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 49.2 Cg_exo -57.36 -34.42 97.88 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.042 1.828 . . . . 0.0 112.252 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.24 -42.05 96.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 970' ' ' VAL . 91.1 mt -56.49 -56.98 14.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.81 175.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 44.0 t -61.97 -36.29 73.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.237 -176.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -61.57 -44.76 96.43 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -63.71 -43.6 97.57 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.738 175.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 966' ' ' LEU . 70.1 t -56.23 -55.24 19.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.729 0.299 . . . . 0.0 110.643 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 971' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 971' ' ' ARG . 20.2 mtm180 -61.24 -34.18 74.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -65.32 -42.12 96.28 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.797 -0.715 . . . . 0.0 111.652 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 973' ' ' SER . . . . . 0.551 ' HB2' HD12 ' A' ' 986' ' ' LEU . 28.9 t -67.99 -36.6 80.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.694 0.283 . . . . 0.0 110.719 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.548 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 24.5 mt-30 -61.32 -40.45 94.24 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.278 0.561 . . . . 0.0 110.306 177.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -77.39 -47.32 20.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.877 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -129.46 81.6 69.58 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.51 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -71.88 -18.16 28.33 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.69 2.26 . . . . 0.0 111.657 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -104.76 22.83 14.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.695 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 29.0 t -112.21 115.38 50.12 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.448 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.16 -26.26 82.08 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.645 2.23 . . . . 0.0 111.661 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 14.5 m -66.13 -47.01 75.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.22 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -73.0 -38.94 66.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.572 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 983' ' ' GLN . . . . . 0.478 ' O ' HG13 ' A' ' 987' ' ' ILE . 54.0 mt-30 -57.26 -61.17 2.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.142 177.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 984' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 984' ' ' LEU . 4.3 mm? -61.46 -32.06 72.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.3 -177.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -61.22 -49.93 75.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 110.519 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 986' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 973' ' ' SER . 1.2 tt -64.0 -46.45 84.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.848 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 987' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 983' ' ' GLN . 79.2 mt -58.83 -45.65 91.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.079 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -66.96 -45.36 77.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.873 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.14 89.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.583 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 50.6 m -59.33 -50.65 73.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.751 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 991' ' ' GLN . . . . . 0.721 ' HA ' HD12 ' A' ' 994' ' ' LEU . 51.9 mt-30 -67.96 -31.56 71.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.984 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 33.7 t -69.7 -32.19 70.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.354 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.551 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 83.1 t80 -75.77 -35.57 60.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.804 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 991' ' ' GLN . 70.4 mt -58.53 -38.39 77.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.592 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.673 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 46.5 tt0 -58.26 -60.43 10.2 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.11 -174.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 77.7 Cg_endo -78.32 -27.63 5.23 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.845 1.697 . . . . 0.0 112.233 177.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.448 ' O ' HG23 ' A' 1001 ' ' VAL . . . -64.29 -47.0 89.22 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.147 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.69 -33.72 86.1 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.056 -0.593 . . . . 0.0 112.005 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.6 -42.59 98.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.735 0.302 . . . . 0.0 110.612 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 45.8 ttp -69.7 -32.56 71.22 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.09 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 997' ' ' GLY . 65.5 t -65.33 -50.25 74.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.982 0.42 . . . . 0.0 110.152 175.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.764 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1003 ' ' ALA . . . . . 0.629 ' HB2' HD12 ' A' ' 951' ' ' LEU . . . -65.23 -44.54 87.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.877 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.619 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -55.94 -52.59 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.801 -177.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 68.9 mttm -58.22 -33.02 68.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.555 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -87.79 -15.81 35.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.426 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1007 ' ' SER . . . . . 0.627 ' O ' HG13 ' A' 1011 ' ' ILE . 51.0 m -93.41 -21.16 19.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.062 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' 1004 ' ' ALA . 72.6 t -52.39 -53.84 48.67 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.17 -11.37 30.18 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.784 1.656 . . . . 0.0 112.743 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 44.9 p -105.24 5.02 31.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.95 0.405 . . . . 0.0 111.22 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1011 ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' 1007 ' ' SER . 60.9 mt -85.67 128.98 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -76.07 -36.24 59.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.666 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.86 115.13 18.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.0 0.429 . . . . 0.0 110.526 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.48 -39.61 91.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.511 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.86 -50.15 75.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 22.6 m -62.89 -41.69 99.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.097 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -58.88 -53.7 55.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.973 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 90.0 mmm -65.05 -36.67 85.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -65.82 -47.05 76.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.244 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.95 -38.04 84.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.627 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 37.5 m -56.6 -48.77 76.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -69.39 -41.29 76.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.677 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1023 ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 931' ' ' THR . 83.3 m -61.78 -49.62 75.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.338 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.4 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.82 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -68.32 -35.46 77.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.273 0.559 . . . . 0.0 110.103 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -73.02 -48.56 35.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.18 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1027 ' ' LEU . . . . . 0.469 ' O ' ' HG ' ' A' 1031 ' ' LEU . 48.9 tp -61.75 -42.42 98.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -178.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.59 -41.59 97.37 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.362 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 23.7 m -74.68 -33.86 62.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.113 0.483 . . . . 0.0 110.371 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1030 ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' ' 924' ' ' ALA . . . -61.96 -43.8 98.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.159 175.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1031 ' ' LEU . . . . . 0.643 HD22 HD23 ' A' ' 994' ' ' LEU . 88.1 mt -66.54 -35.91 81.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.408 176.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.48 -42.42 78.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.148 0.499 . . . . 0.0 110.6 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -69.33 -57.16 5.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.474 175.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1034 ' ' LEU . . . . . 0.445 ' HG ' ' HB3' ' A' ' 990' ' ' SER . 28.8 tp -57.25 -45.48 83.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.184 -173.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1035 ' ' ARG . . . . . 0.451 ' HA ' HD11 ' A' ' 994' ' ' LEU . 48.1 ttt180 -60.76 -41.43 95.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.03 0.443 . . . . 0.0 110.904 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1036 ' ' THR . . . . . 0.534 HG22 ' HE2' ' A' 1040 ' ' LYS . 13.7 m -77.16 -32.22 56.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.28 0.562 . . . . 0.0 110.246 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.13 -53.08 55.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.132 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1038 ' ' ALA . . . . . 0.45 ' HA ' HD21 ' A' ' 917' ' ' LEU . . . -65.61 -31.63 72.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.693 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -50.07 75.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.289 177.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1040 ' ' LYS . . . . . 0.534 ' HE2' HG22 ' A' 1036 ' ' THR . 68.7 mttm -67.81 -33.17 74.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.247 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1041 ' ' ALA . . . . . 0.484 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -77.32 -22.86 51.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.705 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.319 -175.744 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.664 0.269 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 914' ' ' VAL . . . . . 0.566 HG21 ' HB2' ' A' ' 983' ' ' GLN . 25.3 m -80.88 -8.11 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.257 175.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.95 -35.89 82.17 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 174.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -63.81 -40.74 97.36 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.713 173.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 917' ' ' LEU . . . . . 0.741 ' HB3' HD22 ' A' ' 986' ' ' LEU . 47.1 mt -61.13 -42.32 98.32 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.217 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 70.4 mt-10 -53.71 -49.73 67.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.04 0.448 . . . . 0.0 110.583 176.291 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -68.56 -45.95 70.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.734 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -67.51 -39.31 85.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.63 -177.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.76 83.17 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.381 -0.128 . . . . 0.0 111.195 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 922' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 97.8 mttt -62.83 -48.03 80.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.682 0.277 . . . . 0.0 110.641 177.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -71.29 -34.53 70.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.752 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -64.65 -46.65 81.61 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 925' ' ' ALA . . . . . 0.623 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -58.17 -44.1 87.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.298 176.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.59 -57.77 9.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.241 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 62.5 m -57.67 -36.64 72.2 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.407 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 928' ' ' ALA . . . . . 0.536 ' O ' HG13 ' A' ' 932' ' ' ILE . . . -60.24 -43.54 95.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.167 175.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 28.2 m -60.4 -49.35 77.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.756 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -58.88 -37.45 76.58 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.714 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 13.9 m -68.48 -42.64 78.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.797 0.332 . . . . 0.0 110.332 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 928' ' ' ALA . 77.4 mt -62.38 -41.58 92.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.04 0.448 . . . . 0.0 110.186 177.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -61.39 -47.53 85.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.713 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.29 90.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.14 84.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.097 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -76.15 -36.14 58.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 53.0 m170 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -178.855 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 1.4 tm? . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 120.469 0.176 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 952' ' ' LEU . . . . . 0.581 ' HA ' ' HB1' ' A' 1003 ' ' ALA . 1.6 tt -61.8 -45.99 91.47 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 177.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 953' ' ' VAL . . . . . 0.746 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 66.8 t -60.67 -38.08 77.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.918 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -60.95 -39.96 91.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.302 0.573 . . . . 0.0 110.018 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 955' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 959' ' ' VAL . 15.9 m -76.88 -43.04 37.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.259 -177.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 956' ' ' CYS . . . . . 0.746 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 32.1 p -65.57 -37.8 87.73 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 121.303 -0.159 . . . . 0.0 111.069 -176.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -63.31 -37.14 86.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.688 0.28 . . . . 0.0 110.636 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 958' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -68.25 -41.08 81.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.961 0.41 . . . . 0.0 110.449 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 963' ' ' ILE . 81.3 t -66.81 -40.13 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.925 178.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -59.8 -25.44 64.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.636 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -84.58 -22.08 30.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.826 0.346 . . . . 0.0 110.786 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 962' ' ' GLN . . . . . 0.581 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 11.8 mm100 -85.71 -25.58 26.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.743 -178.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.693 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 78.9 mt -54.04 -53.24 60.69 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.839 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.693 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 36.6 Cg_exo -59.08 -33.19 98.46 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.0 1.8 . . . . 0.0 112.114 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.62 -37.55 85.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.883 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 970' ' ' VAL . 72.6 mt -59.07 -58.67 7.61 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.965 173.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 38.3 t -62.17 -34.13 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.079 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -58.58 -45.46 89.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.93 -41.73 93.17 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.029 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 966' ' ' LEU . 46.3 t -56.55 -51.14 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 121.063 0.459 . . . . 0.0 110.196 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -64.4 -28.22 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.971 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -66.92 -42.87 92.54 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.689 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 32.7 t -68.02 -36.07 79.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.086 0.469 . . . . 0.0 109.897 176.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 51.2 mt-30 -70.97 -21.71 62.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 177.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -69.64 -60.27 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.134 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -140.2 91.75 9.84 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.952 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.86 -13.5 36.93 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.657 2.238 . . . . 0.0 111.364 176.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -81.71 -5.6 58.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.396 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 30.6 t -108.56 109.33 61.41 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.665 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.602 ' HA ' ' HG2' ' A' ' 983' ' ' GLN . 21.6 Cg_exo -65.64 -21.29 59.34 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.591 2.194 . . . . 0.0 111.223 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 14.6 m -73.84 -34.15 64.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.205 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -76.42 -45.72 30.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.027 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 983' ' ' GLN . . . . . 0.602 ' HG2' ' HA ' ' A' ' 980' ' ' PRO . 11.5 pt20 -65.5 -25.4 67.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.698 -177.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 984' ' ' LEU . . . . . 0.712 HD22 HD12 ' A' ' 987' ' ' ILE . 0.2 OUTLIER -57.51 -33.6 68.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.501 178.092 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -65.54 -24.26 67.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.037 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 986' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 917' ' ' LEU . 1.2 tt -81.35 -43.67 18.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 987' ' ' ILE . . . . . 0.712 HD12 HD22 ' A' ' 984' ' ' LEU . 62.8 mt -57.88 -50.66 77.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.614 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.08 97.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.788 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.83 95.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.23 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.616 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 37.1 m -58.81 -49.97 75.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.997 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 991' ' ' GLN . . . . . 0.641 ' HA ' HD12 ' A' ' 994' ' ' LEU . 77.3 mt-30 -67.31 -37.85 84.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.056 0.455 . . . . 0.0 110.682 -178.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 22.7 t -71.41 -16.24 62.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.786 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.412 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 86.6 t80 -90.04 -32.6 16.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.345 177.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 991' ' ' GLN . 79.0 mt -56.09 -42.95 77.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.244 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.87 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 48.5 tp60 -59.38 -60.79 9.41 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.906 -175.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.87 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 10.3 Cg_exo -72.23 -32.3 10.71 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.91 1.74 . . . . 0.0 112.016 178.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.425 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.09 -48.59 82.11 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.246 -178.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.06 -33.71 86.6 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.986 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -67.2 -32.62 73.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.535 0.207 . . . . 0.0 111.095 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1000 ' ' MET . . . . . 0.432 ' HG3' ' HA ' ' A' ' 956' ' ' CYS . 8.4 tmm? -78.41 -33.44 48.66 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 997' ' ' GLY . 98.7 t -57.62 -48.32 83.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.761 172.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.05 -45.99 83.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.828 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1003 ' ' ALA . . . . . 0.581 ' HB1' ' HA ' ' A' ' 952' ' ' LEU . . . -58.47 -41.92 86.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.17 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.47 -53.67 55.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.795 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.39 -38.13 82.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.598 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -71.98 -24.8 61.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.494 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 41.0 m -86.91 -21.57 26.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.083 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' 1004 ' ' ALA . 94.8 t -50.48 -56.67 16.92 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1009 ' ' PRO . . . . . 0.456 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 43.1 Cg_endo -68.4 -20.82 41.64 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.922 1.748 . . . . 0.0 113.185 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 47.2 p -87.12 -11.88 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.357 . . . . 0.0 111.674 -177.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1011 ' ' ILE . . . . . . . . . . . . . 84.3 mt -94.58 137.15 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -83.85 -27.86 28.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.36 -174.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 12.6 t70 -75.84 94.23 3.3 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -66.75 -28.98 68.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.621 -172.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -62.29 -51.32 68.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.975 0.417 . . . . 0.0 110.49 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 16.5 m -72.09 -32.32 66.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.675 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.408 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -62.55 -47.79 82.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 94.5 mmm -67.7 -22.49 65.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 111.013 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -66.48 -36.53 82.97 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 20.1 mt -64.85 -45.25 86.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.753 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -38.19 69.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.076 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -73.55 -49.49 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 83.2 m -61.56 -43.14 99.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1024 ' ' ALA . . . . . 0.414 ' HB1' HG13 ' A' 1001 ' ' VAL . . . -61.29 -31.57 71.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.121 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -68.96 -49.03 61.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -61.93 -44.58 96.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.654 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1027 ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' 1031 ' ' LEU . 54.7 tp -63.98 -39.68 94.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.442 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.67 98.49 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.3 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 22.4 m -71.59 -33.65 69.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.044 0.45 . . . . 0.0 110.375 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.21 -49.56 76.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.022 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1031 ' ' LEU . . . . . 0.518 HD22 HD23 ' A' ' 994' ' ' LEU . 95.6 mt -62.51 -34.23 76.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.797 177.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.58 -55.15 37.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.4 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.14 -27.46 48.19 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.901 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.01 -46.65 89.91 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -65.67 -36.02 82.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.735 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 41.1 m -67.32 -48.87 66.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.1 85.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.18 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1038 ' ' ALA . . . . . 0.453 ' HA ' HD11 ' A' ' 917' ' ' LEU . . . -59.47 -39.26 83.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.283 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -59.96 -52.56 64.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -72.98 -33.74 66.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.128 -177.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1041 ' ' ALA . . . . . 0.495 ' HB1' HG12 ' A' ' 914' ' ' VAL . . . -68.72 -29.74 68.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.149 0.499 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1042 ' ' GLN . . . . . 0.595 ' HA ' HD13 ' A' ' 987' ' ' ILE . 63.4 tt0 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.772 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 N--CA 1.465 0.291 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 914' ' ' VAL . . . . . 0.486 HG11 ' HG3' ' A' ' 983' ' ' GLN . 32.8 m -79.75 -27.76 12.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.465 175.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.85 -46.99 82.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.745 176.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -63.57 -43.75 96.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.773 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 917' ' ' LEU . . . . . 0.613 ' HG ' HD22 ' A' ' 986' ' ' LEU . 25.4 tp -58.19 -45.6 87.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.942 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -53.12 -57.77 9.3 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.998 0.427 . . . . 0.0 111.169 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -65.57 -41.28 93.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.181 -175.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -62.58 -45.1 94.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.153 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.17 84.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.28 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 922' ' ' LYS . . . . . 0.429 ' HG3' HG11 ' A' ' 970' ' ' VAL . 53.2 mtmt -65.38 -40.09 93.06 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -74.32 -30.67 62.15 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.331 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -67.02 -47.23 72.08 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 925' ' ' ALA . . . . . 0.607 ' HB2' HD23 ' A' ' 966' ' ' LEU . . . -59.68 -41.19 90.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.591 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 926' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 930' ' ' GLN . . . -65.27 -51.51 60.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.979 178.001 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 26.3 t -61.03 -37.22 81.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.486 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 928' ' ' ALA . . . . . 0.456 ' O ' HG13 ' A' ' 932' ' ' ILE . . . -60.82 -45.22 95.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.081 175.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 52.8 m -59.35 -43.52 92.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.525 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 930' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 926' ' ' ALA . 84.9 mm-40 -62.2 -39.84 94.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.572 177.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 931' ' ' THR . . . . . 0.492 ' HB ' ' HE1' ' A' 1000 ' ' MET . 15.9 m -69.03 -40.38 78.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.583 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 928' ' ' ALA . 70.3 mt -61.03 -50.58 79.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.36 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -58.73 -43.07 90.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.76 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.62 95.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.596 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.92 97.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.145 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 936' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 97.2 mt-30 -62.33 -41.06 98.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.956 0.408 . . . . 0.0 110.93 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 -177.803 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--O 1.235 0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 952' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' 1004 ' ' ALA . 58.9 mt -57.83 -46.1 85.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.814 171.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.62 -50.6 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.106 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -59.14 -47.04 86.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.024 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 955' ' ' SER . . . . . 0.473 ' O ' HG23 ' A' ' 959' ' ' VAL . 17.5 m -65.85 -49.79 66.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.9 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 88.4 m -59.51 -37.78 79.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.717 0.294 . . . . 0.0 111.25 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -62.8 -47.32 83.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.641 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -66.23 -41.64 89.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.196 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 963' ' ' ILE . 87.7 t -65.16 -41.56 92.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.718 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.97 -21.37 63.44 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.577 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.5 -31.27 21.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 962' ' ' GLN . . . . . 0.749 ' HG3' ' HG3' ' A' ' 996' ' ' PRO . 15.9 mm-40 -87.1 -28.36 22.56 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -176.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.682 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 72.6 mt -52.23 -53.94 47.07 Favored Pre-proline 0 N--CA 1.468 0.439 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.682 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 51.5 Cg_exo -55.25 -42.03 72.61 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.172 1.915 . . . . 0.0 112.37 178.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 91.8 mt -69.69 -35.55 75.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.014 0.435 . . . . 0.0 110.293 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 925' ' ' ALA . 51.2 tp -63.67 -51.77 63.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.096 175.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.18 -39.35 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.051 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -62.19 -38.68 90.03 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 174.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -61.08 -49.15 81.54 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.626 174.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.602 ' HA ' ' HG ' ' A' ' 986' ' ' LEU . 48.8 t -55.07 -55.03 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.007 0.432 . . . . 0.0 110.766 178.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -67.31 -27.78 67.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.182 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -66.56 -40.01 94.07 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.761 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 973' ' ' SER . . . . . 0.617 ' OG ' ' HB2' ' A' ' 986' ' ' LEU . 17.5 m -70.92 -32.54 69.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 0.0 110.451 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 96.0 mt-30 -67.63 -35.76 79.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.81 99.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.069 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -133.11 75.45 71.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.318 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.59 2.03 6.84 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.8 2.333 . . . . 0.0 113.568 -172.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -115.48 0.63 13.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.983 0.42 . . . . 0.0 110.576 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 980' ' ' PRO . 50.0 m -105.66 122.84 41.3 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.185 -174.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 979' ' ' SER . 47.3 Cg_exo -56.52 -36.7 97.95 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.212 2.608 . . . . 0.0 113.169 -177.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 23.2 t -64.94 -34.22 77.91 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.035 0.445 . . . . 0.0 110.316 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 982' ' ' ALA . . . . . 0.502 ' HB1' ' HA ' ' A' ' 973' ' ' SER . . . -73.8 -42.9 60.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.153 177.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 983' ' ' GLN . . . . . 0.486 ' HG3' HG11 ' A' ' 914' ' ' VAL . 0.0 OUTLIER -55.16 -51.59 66.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.146 177.541 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 984' ' ' LEU . . . . . 0.49 HD13 HD12 ' A' ' 987' ' ' ILE . 4.4 mm? -65.83 -23.26 66.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.751 -177.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.65 99.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.465 178.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 986' ' ' LEU . . . . . 0.617 ' HB2' ' OG ' ' A' ' 973' ' ' SER . 0.6 OUTLIER -71.4 -44.01 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.892 177.644 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 987' ' ' ILE . . . . . 0.49 HD12 HD13 ' A' ' 984' ' ' LEU . 67.1 mt -57.74 -48.22 84.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.066 -178.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.69 88.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 989' ' ' ALA . . . . . 0.439 ' HB1' ' HA ' ' A' ' 966' ' ' LEU . . . -61.79 -40.94 96.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.291 -178.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.583 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 50.3 m -60.92 -50.18 74.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 991' ' ' GLN . . . . . 0.689 ' HA ' HD12 ' A' ' 994' ' ' LEU . 51.2 mt-30 -64.88 -39.99 94.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.827 -178.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 49.3 m -65.09 -35.4 81.02 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.905 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -71.14 -29.54 65.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.706 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 991' ' ' GLN . 84.2 mt -59.62 -36.61 76.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.089 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.613 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 53.0 tt0 -57.17 -63.36 3.76 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.151 -176.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.749 ' HG3' ' HG3' ' A' ' 962' ' ' GLN . 72.5 Cg_endo -76.25 -27.04 8.41 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.575 1.516 . . . . 0.0 112.213 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.37 -49.71 75.62 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.942 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.74 -30.3 74.54 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.204 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 999' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 63.4 mttm -62.79 -43.59 98.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.668 0.271 . . . . 0.0 110.679 178.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1000 ' ' MET . . . . . 0.492 ' HE1' ' HB ' ' A' ' 931' ' ' THR . 43.4 ttp -72.94 -30.26 63.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.349 -177.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 997' ' ' GLY . 65.7 t -61.24 -46.66 96.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.14 0.495 . . . . 0.0 109.987 174.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -68.54 -45.07 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.77 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.05 92.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.041 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.636 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.11 -52.09 67.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.64 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -60.45 -38.67 84.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.244 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -81.65 -19.53 41.51 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -175.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1007 ' ' SER . . . . . 0.489 ' O ' HG13 ' A' 1011 ' ' ILE . 8.7 t -88.6 -20.85 24.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.809 0.337 . . . . 0.0 110.465 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.835 HG13 ' HB1' ' A' 1017 ' ' ALA . 54.3 t -50.3 -53.14 47.82 Favored Pre-proline 0 CA--C 1.545 0.771 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.076 177.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.31 -16.98 24.58 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.965 1.777 . . . . 0.0 113.896 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 35.2 p -90.88 -31.29 16.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 111.46 -178.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1011 ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' 1007 ' ' SER . 87.0 mt -62.31 -45.51 98.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.051 0.453 . . . . 0.0 110.687 177.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 60.11 28.16 17.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.935 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1013 ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' 1014 ' ' GLN . 17.6 t70 -95.5 -14.64 23.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.378 0.609 . . . . 0.0 110.07 177.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.523 ' O ' ' HG3' ' A' 1018 ' ' MET . 75.2 mt-30 69.52 -71.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.341 -177.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -59.91 -53.59 56.13 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -173.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 15.0 m -63.16 -35.64 80.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.193 0.521 . . . . 0.0 110.657 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.835 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -69.3 -36.34 76.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.367 -178.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1018 ' ' MET . . . . . 0.523 ' HG3' ' O ' ' A' 1014 ' ' GLN . 67.6 mtt -65.51 -32.28 73.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.052 0.453 . . . . 0.0 110.232 177.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.55 -43.36 90.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.802 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.06 -45.26 91.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.261 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 12.6 t -61.87 -37.95 86.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.697 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -68.07 -44.75 75.61 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.929 0.395 . . . . 0.0 110.652 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1023 ' ' CYS . . . . . 0.412 ' HB3' ' OG1' ' A' ' 931' ' ' THR . 70.3 m -64.3 -45.41 88.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -178.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.9 -29.71 70.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.963 0.411 . . . . 0.0 111.125 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -61.9 -48.87 78.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.153 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -70.33 -52.14 24.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.979 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1027 ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' 1031 ' ' LEU . 55.3 tp -56.98 -44.89 83.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.37 -176.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -57.82 -46.27 92.55 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.786 -178.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 10.5 m -80.08 -25.8 39.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.878 0.371 . . . . 0.0 111.183 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -64.45 -45.31 88.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1031 ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' 1027 ' ' LEU . 89.4 mt -66.39 -31.86 72.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.756 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.23 -55.7 31.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.577 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -81.68 -17.47 47.86 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.913 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.19 -42.66 99.49 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -62.74 -42.84 99.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.351 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 17.4 m -62.06 -45.01 95.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.195 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -66.72 -43.84 83.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.16 77.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.977 0.418 . . . . 0.0 110.671 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.82 -57.35 13.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.34 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 86.1 mttt -63.15 -32.69 74.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.446 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -69.01 -30.14 68.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 51.0 tt0 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.689 -178.328 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 121.073 0.463 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 20.0 m -87.58 -27.39 5.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.986 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -68.45 -41.84 79.66 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.144 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -67.56 -27.68 67.15 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.64 -52.09 35.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.112 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -53.81 -40.15 66.1 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 176.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -62.11 -50.38 72.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.277 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -67.45 -42.66 82.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.2 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -58.74 -48.07 82.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -67.57 -42.39 82.64 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.351 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -73.64 -29.14 62.16 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.746 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.46 83.25 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.73 81.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.316 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -64.56 -52.27 58.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.194 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 60.2 m -63.03 -35.79 81.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.861 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 928' ' ' ALA . . . . . 0.562 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -59.87 -49.66 76.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.183 175.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 25.3 m -57.46 -43.21 83.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.623 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -60.74 -47.84 84.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.617 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 931' ' ' THR . . . . . 0.411 ' OG1' ' HB3' ' A' 1023 ' ' CYS . 19.0 m -62.78 -42.06 99.53 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.87 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.62 HD12 HD11 ' A' ' 963' ' ' ILE . 72.1 mt -65.25 -45.27 94.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.719 0.295 . . . . 0.0 111.296 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.37 92.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.599 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -66.61 -40.4 88.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.494 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.497 ' HB1' ' HG ' ' A' ' 952' ' ' LEU . . . -56.87 -56.67 18.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.527 -178.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -71.08 -18.17 62.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.88 -175.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 120.776 0.322 . . . . 0.0 110.68 178.784 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 121.039 0.447 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 952' ' ' LEU . . . . . 0.497 ' HG ' ' HB1' ' A' ' 935' ' ' ALA . 42.0 tp -55.63 -45.6 77.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.109 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 953' ' ' VAL . . . . . 0.73 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 53.2 t -65.25 -39.57 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -60.39 -41.09 93.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 48.8 m -72.09 -47.44 51.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.183 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 956' ' ' CYS . . . . . 0.73 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 22.3 p -65.61 -25.91 67.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.982 0.42 . . . . 0.0 110.652 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 957' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 953' ' ' VAL . 19.6 tptp -62.64 -46.14 89.6 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.929 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -66.47 -52.29 47.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.409 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 963' ' ' ILE . 60.7 t -55.35 -39.25 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.365 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -58.44 -27.1 64.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.528 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -81.64 -35.25 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.88 0.372 . . . . 0.0 110.75 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 962' ' ' GLN . . . . . 0.532 ' HA ' HD12 ' A' ' 965' ' ' LEU . 1.8 mp0 -76.51 -17.95 58.99 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.62 HD11 HD12 ' A' ' 932' ' ' ILE . 72.3 mt -56.31 -57.0 25.57 Favored Pre-proline 0 N--CA 1.47 0.543 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.6 Cg_endo -60.1 -31.81 93.84 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.987 1.791 . . . . 0.0 111.917 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 965' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 962' ' ' GLN . 97.9 mt -63.0 -42.47 99.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.537 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 970' ' ' VAL . 57.9 mt -60.0 -59.28 5.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.617 175.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 967' ' ' VAL . . . . . 0.489 ' O ' ' HG2' ' A' ' 971' ' ' ARG . 52.2 t -60.63 -42.74 92.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.749 -173.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -69.73 -30.29 67.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.627 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.24 -42.21 97.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.462 -0.875 . . . . 0.0 110.933 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 966' ' ' LEU . 41.3 t -60.83 -42.62 93.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.949 0.404 . . . . 0.0 109.913 174.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 971' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 967' ' ' VAL . 27.5 mmt180 -60.62 -37.57 81.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -65.98 -40.36 95.24 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.599 175.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 973' ' ' SER . . . . . 0.422 ' HB2' HD12 ' A' ' 986' ' ' LEU . 47.4 t -62.57 -43.33 99.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.861 0.362 . . . . 0.0 110.77 177.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 87.3 mt-30 -65.3 -22.81 66.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -78.47 -47.16 18.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.494 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -134.36 88.82 29.04 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.609 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.584 ' HA ' ' NE2' ' A' ' 983' ' ' GLN . 48.1 Cg_endo -69.75 -23.47 30.79 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.991 2.46 . . . . 0.0 113.002 -177.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -93.52 -35.14 13.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.65 0.262 . . . . 0.0 110.899 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.441 ' HA ' ' HD2' ' A' ' 980' ' ' PRO . 46.6 t -67.82 119.13 64.26 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.997 0.427 . . . . 0.0 111.192 -176.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 979' ' ' SER . 24.7 Cg_endo -62.61 -29.37 77.89 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.869 2.38 . . . . 0.0 111.546 176.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 3.9 m -61.95 -35.9 79.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.766 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -81.38 -42.71 20.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.68 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 983' ' ' GLN . . . . . 0.584 ' NE2' ' HA ' ' A' ' 977' ' ' PRO . 81.1 mm-40 -63.82 -39.73 94.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.272 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 984' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 980' ' ' PRO . 15.2 tp -57.2 -32.9 66.95 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.328 -177.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.72 99.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 986' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 973' ' ' SER . 0.7 OUTLIER -70.39 -47.37 61.16 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.354 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 987' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' A' 1042 ' ' GLN . 78.5 mt -57.28 -46.64 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.09 -178.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.92 82.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.855 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.02 84.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.976 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.641 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 44.1 m -60.74 -46.98 88.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.804 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 991' ' ' GLN . . . . . 0.576 ' HA ' HD12 ' A' ' 994' ' ' LEU . 47.0 mt-30 -66.42 -38.73 88.11 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.069 0.462 . . . . 0.0 110.817 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 29.0 t -74.87 -6.72 50.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.58 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.562 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 91.6 t80 -98.12 -29.95 12.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 109.974 176.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 990' ' ' SER . 81.2 mt -58.42 -42.44 87.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.268 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.807 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 24.0 tp60 -63.48 -60.0 10.46 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.03 -177.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.807 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 18.5 Cg_exo -66.97 -39.97 12.91 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.025 1.817 . . . . 0.0 111.976 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' 1001 ' ' VAL . . . -61.92 -43.47 99.14 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.348 -178.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.68 -37.86 94.17 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.058 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -70.97 -29.03 64.91 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.399 -0.12 . . . . 0.0 111.191 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1000 ' ' MET . . . . . 0.588 ' SD ' ' HA ' ' A' ' 956' ' ' CYS . 50.3 ttp -72.96 -33.59 65.98 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 997' ' ' GLY . 75.9 t -60.52 -47.64 91.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.77 174.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -62.57 -51.56 66.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.964 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -60.98 -38.99 87.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.61 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' 1008 ' ' VAL . . . -62.96 -53.23 57.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.737 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.29 -35.1 76.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.379 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -76.65 -20.6 56.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.102 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1007 ' ' SER . . . . . 0.444 ' O ' HG13 ' A' 1011 ' ' ILE . 24.9 t -87.95 -23.29 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.494 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' 1004 ' ' ALA . 77.5 t -51.1 -50.65 74.12 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1009 ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' 1008 ' ' VAL . 36.0 Cg_endo -67.05 -24.78 44.72 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.921 1.747 . . . . 0.0 113.272 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 74.6 p -84.1 -5.1 59.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.37 0.605 . . . . 0.0 110.603 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1011 ' ' ILE . . . . . 0.643 HG22 ' H ' ' A' 1013 ' ' ASP . 86.5 mt -99.5 133.39 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.661 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -111.56 23.25 14.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.236 0.541 . . . . 0.0 110.945 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1013 ' ' ASP . . . . . 0.643 ' H ' HG22 ' A' 1011 ' ' ILE . 31.6 t70 -111.4 109.54 19.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.124 170.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -55.78 -44.63 77.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.159 -173.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.59 73.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.731 0.301 . . . . 0.0 111.193 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 22.6 m -66.49 -41.33 89.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.085 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.49 -49.99 74.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.273 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1018 ' ' MET . . . . . 0.431 ' HA ' ' CE ' ' A' 1018 ' ' MET . 20.5 mmt -68.15 -36.32 79.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.667 -178.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -59.47 -50.51 73.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.343 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.01 -42.13 93.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.297 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 38.0 m -59.13 -42.8 91.49 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.836 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.96 -46.96 40.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.615 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1023 ' ' CYS . . . . . 0.411 ' HB3' ' OG1' ' A' ' 931' ' ' THR . 84.5 m -57.71 -50.82 71.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.266 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.26 77.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.869 0.366 . . . . 0.0 111.001 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -63.89 -45.82 87.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.179 0.514 . . . . 0.0 110.392 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -72.8 -37.61 67.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.492 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1027 ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' 1031 ' ' LEU . 55.8 tp -59.72 -38.11 80.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.52 177.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.0 -46.59 93.5 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.318 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 37.1 m -72.17 -33.81 67.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.892 0.377 . . . . 0.0 110.774 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -57.55 -46.2 84.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.825 175.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1031 ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' 1027 ' ' LEU . 96.3 mt -65.59 -34.6 78.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.764 176.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -59.71 -59.22 5.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.453 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -76.76 -19.46 57.6 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.554 -0.459 . . . . 0.0 111.193 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.61 -50.06 68.66 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 172.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -62.1 -42.02 98.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.088 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 38.4 m -59.57 -45.87 90.59 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.079 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -68.68 -50.73 48.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.068 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -56.75 -44.44 81.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.414 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -55.93 -54.07 49.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.995 0.426 . . . . 0.0 111.411 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -73.84 -15.81 61.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.86 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -91.25 -30.72 16.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.926 0.394 . . . . 0.0 110.693 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1042 ' ' GLN . . . . . 0.452 ' HA ' HD13 ' A' ' 987' ' ' ILE . 63.8 tt0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.873 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.611 0.243 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 914' ' ' VAL . . . . . 0.532 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 35.6 m -70.58 -30.52 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.153 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -63.99 -36.28 83.46 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.482 0.658 . . . . 0.0 110.033 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -68.96 -34.22 74.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.92 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 917' ' ' LEU . . . . . 0.551 HD11 ' HA ' ' A' 1038 ' ' ALA . 20.2 mt -62.56 -47.32 84.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.025 174.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 66.0 mt-10 -49.26 -58.02 5.78 Favored 'General case' 0 C--N 1.332 -0.157 0 O-C-N 123.633 0.583 . . . . 0.0 110.64 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -69.25 -34.76 75.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.532 -175.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 920' ' ' ALA . . . . . 0.4 ' HA ' ' HG2' ' A' ' 923' ' ' GLN . . . -70.31 -41.27 73.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.259 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.09 79.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 922' ' ' LYS . . . . . 0.529 ' CG ' HG11 ' A' ' 970' ' ' VAL . 54.6 mtpt -66.44 -46.07 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.772 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 923' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 920' ' ' ALA . 11.2 pt20 -71.13 -31.19 67.42 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.371 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.25 75.33 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 175.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 925' ' ' ALA . . . . . 0.453 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.22 -41.08 87.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.54 176.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.95 -53.94 42.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.985 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 39.5 m -60.6 -36.1 77.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.87 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 928' ' ' ALA . . . . . 0.621 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -62.23 -48.52 79.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.274 176.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 26.6 m -59.57 -42.06 91.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.475 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -63.28 -44.37 95.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 26.6 m -65.4 -40.88 93.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.356 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.601 HG23 ' SG ' ' A' ' 956' ' ' CYS . 45.6 mt -58.3 -49.39 82.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.61 175.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -57.41 -42.78 82.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.189 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -71.64 -36.31 70.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.935 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -64.7 -35.77 82.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.699 -178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 936' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 13.4 pt20 -101.66 23.67 10.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.758 0.313 . . . . 0.0 111.343 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 18.8 t60 . . . . . 0 C--N 1.325 -0.478 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.014 179.094 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 23.9 mt -51.28 -43.3 61.57 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 52.5 t -59.46 -36.63 65.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.062 0.458 . . . . 0.0 110.924 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 954' ' ' GLN . . . . . 0.545 ' HA ' ' HE2' ' A' ' 957' ' ' LYS . 53.2 mm-40 -77.42 -47.45 19.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.318 -177.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 8.7 m -63.06 -37.1 85.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.731 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 956' ' ' CYS . . . . . 0.601 ' SG ' HG23 ' A' ' 932' ' ' ILE . 42.3 t -56.39 -43.68 79.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.073 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 957' ' ' LYS . . . . . 0.545 ' HE2' ' HA ' ' A' ' 954' ' ' GLN . 52.9 mtmt -61.9 -41.2 97.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.763 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.8 82.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.448 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 963' ' ' ILE . 83.2 t -63.91 -41.49 92.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.81 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -58.5 -27.46 64.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.175 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 961' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 41.5 mm-40 -87.2 -22.16 25.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.834 0.349 . . . . 0.0 111.059 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 962' ' ' GLN . . . . . 0.707 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 86.0 mm-40 -90.4 -26.72 19.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.61 -176.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 959' ' ' VAL . 82.6 mt -54.31 -54.11 51.72 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.1 Cg_endo -59.76 -30.98 93.33 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.028 1.818 . . . . 0.0 112.262 178.415 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.42 -36.55 79.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.591 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 970' ' ' VAL . 87.5 mt -61.18 -60.6 3.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.103 0.478 . . . . 0.0 109.997 173.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 43.6 t -58.5 -41.79 82.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.737 -174.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -60.04 -45.97 91.06 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -62.94 -43.04 99.49 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.04 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 966' ' ' LEU . 61.1 t -56.97 -51.92 62.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.862 0.363 . . . . 0.0 110.605 177.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -60.71 -33.98 73.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.673 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.21 -42.13 99.72 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.877 -0.677 . . . . 0.0 111.898 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 35.8 t -74.15 -39.21 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.788 0.328 . . . . 0.0 110.834 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.2 -25.95 68.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.288 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 975' ' ' ALA . . . . . 0.402 ' O ' ' HD3' ' A' ' 977' ' ' PRO . . . -95.05 -46.91 6.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.919 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 976' ' ' GLN . . . . . 0.485 ' HB3' ' OG ' ' A' ' 979' ' ' SER . 29.4 mt-30 -108.45 96.95 20.59 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.904 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 977' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 975' ' ' ALA . 89.2 Cg_endo -90.79 13.74 2.12 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.764 2.309 . . . . 0.0 114.312 -172.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -143.18 -32.96 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.173 -0.611 . . . . 0.0 112.513 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.485 ' OG ' ' HB3' ' A' ' 976' ' ' GLN . 10.1 p -66.43 116.68 36.48 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.308 . . . . 0.0 111.211 -178.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.97 -33.76 73.95 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.195 2.596 . . . . 0.0 112.998 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 2.5 p -61.24 -24.63 66.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.769 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -80.11 -52.86 7.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.393 . . . . 0.0 110.666 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 983' ' ' GLN . . . . . 0.478 ' O ' HG13 ' A' ' 987' ' ' ILE . 22.2 mp0 -65.48 -44.63 86.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.571 -178.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.97 -24.3 67.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.494 0.188 . . . . 0.0 111.266 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -69.24 -45.85 68.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.067 0.461 . . . . 0.0 109.921 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 986' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 917' ' ' LEU . 4.1 tt -63.77 -50.64 68.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.771 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 987' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 983' ' ' GLN . 71.3 mt -57.83 -44.35 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.245 -177.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.08 85.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.765 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.6 80.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.077 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.579 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.6 m -58.87 -52.08 67.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.878 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 991' ' ' GLN . . . . . 0.661 ' HA ' HD12 ' A' ' 994' ' ' LEU . 70.8 mt-30 -66.4 -37.33 85.01 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.315 0.578 . . . . 0.0 110.257 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 42.7 t -65.26 -25.58 67.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.826 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.621 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 87.3 t80 -87.61 -30.05 20.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 991' ' ' GLN . 98.1 mt -53.11 -48.65 67.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.625 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.743 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.3 tp-100 -62.02 -58.65 16.53 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -177.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 52.4 Cg_exo -57.09 -41.03 79.0 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.123 1.882 . . . . 0.0 112.174 177.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' 1001 ' ' VAL . . . -59.37 -50.41 68.09 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.86 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.65 -35.36 89.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.344 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.23 -39.13 93.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.569 0.223 . . . . 0.0 110.863 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 50.2 ttp -76.27 -31.07 58.08 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.126 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 997' ' ' GLY . 99.1 t -60.46 -50.01 82.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.91 0.386 . . . . 0.0 110.007 174.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.71 92.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.977 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.36 90.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.019 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' 1008 ' ' VAL . . . -63.89 -46.66 83.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.739 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.6 mttt -60.68 -33.5 72.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -77.76 -20.62 53.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.066 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1007 ' ' SER . . . . . 0.572 ' O ' HG13 ' A' 1011 ' ' ILE . 36.5 t -92.42 -14.19 28.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.999 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' 1004 ' ' ALA . 73.5 t -56.41 -52.19 75.11 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1009 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' 1008 ' ' VAL . 48.7 Cg_endo -68.92 -18.0 41.22 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 121.758 1.639 . . . . 0.0 113.395 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 49.0 p -85.27 -14.17 47.47 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.024 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1011 ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' 1017 ' ' ALA . 63.1 mt -77.2 125.07 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.943 176.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -74.67 -31.3 61.88 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -75.26 97.35 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.418 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' 1018 ' ' MET . 76.0 mt-30 -60.56 -39.56 88.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.981 -172.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.66 91.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 37.4 m -68.08 -29.17 68.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.582 ' HA ' HD12 ' A' 1011 ' ' ILE . . . -65.98 -45.12 82.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.074 0.464 . . . . 0.0 110.211 175.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1018 ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' 1014 ' ' GLN . 64.3 mtt -64.41 -34.14 77.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.076 176.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.18 -53.66 54.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.452 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.63 -42.72 88.9 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 39.5 t -59.74 -42.23 92.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.519 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.63 -40.09 80.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.939 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 80.2 m -57.76 -52.73 64.26 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.541 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1024 ' ' ALA . . . . . 0.4 ' HB1' HG13 ' A' 1001 ' ' VAL . . . -65.06 -37.41 87.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.158 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -60.95 -46.05 92.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.557 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -69.55 -38.31 77.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.656 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1027 ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' 1031 ' ' LEU . 55.9 tp -58.78 -37.95 77.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.118 175.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.48 -40.74 96.59 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.396 176.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 74.7 m -73.37 -35.98 66.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.97 0.414 . . . . 0.0 110.531 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.28 89.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.031 175.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1031 ' ' LEU . . . . . 0.495 HD22 ' HA ' ' A' ' 994' ' ' LEU . 88.6 mt -68.08 -36.55 80.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.561 175.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.32 -61.84 2.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.865 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.19 -30.13 69.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.012 -176.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 52.7 tp -65.09 -47.43 77.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.112 0.482 . . . . 0.0 110.192 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -58.35 -47.94 82.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.458 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 35.9 m -64.42 -44.07 92.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.446 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.0 96.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.902 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1038 ' ' ALA . . . . . 0.551 ' HA ' HD11 ' A' ' 917' ' ' LEU . . . -63.06 -39.49 94.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.826 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -60.94 -47.95 84.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.126 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.76 -46.3 69.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.241 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -65.17 -36.55 84.58 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -174.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1042 ' ' GLN . . . . . 0.443 ' HB2' HG21 ' A' ' 987' ' ' ILE . 63.8 tt0 . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 120.714 0.292 . . . . 0.0 111.104 -176.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 41.8 mt . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.219 0.533 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 914' ' ' VAL . . . . . 0.481 HG11 ' HB2' ' A' ' 983' ' ' GLN . 6.7 m -81.16 -23.7 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.084 -176.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.12 -32.12 73.43 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.696 0.76 . . . . 0.0 109.777 173.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -66.06 -37.54 86.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.208 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 917' ' ' LEU . . . . . 0.624 ' HB3' HD22 ' A' ' 986' ' ' LEU . 95.1 mt -64.23 -36.07 82.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.13 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -55.2 -48.55 73.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.129 0.49 . . . . 0.0 110.744 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -75.95 -43.87 42.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.743 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 920' ' ' ALA . . . . . 0.47 ' HA ' ' HG2' ' A' ' 923' ' ' GLN . . . -63.4 -38.91 92.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.783 -176.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.32 87.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.737 0.304 . . . . 0.0 111.113 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -69.95 -41.71 74.16 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.291 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 923' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 920' ' ' ALA . 19.1 pt20 -70.37 -31.05 68.15 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.722 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -71.01 -45.19 64.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.999 0.428 . . . . 0.0 110.035 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 925' ' ' ALA . . . . . 0.546 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.92 -33.22 71.58 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.735 177.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -74.61 -55.39 5.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.295 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 19.8 p -62.47 -34.99 77.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 111.478 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 928' ' ' ALA . . . . . 0.58 ' HB1' HG11 ' A' ' 959' ' ' VAL . . . -59.21 -44.62 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.772 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 38.8 m -62.0 -41.32 97.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.543 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -63.03 -42.75 99.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.246 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 27.9 m -65.57 -37.91 88.04 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.9 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.548 ' O ' ' HG2' ' A' ' 936' ' ' GLN . 78.3 mt -61.51 -49.12 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 120.883 0.373 . . . . 0.0 110.279 175.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -57.3 -41.73 80.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.536 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -66.79 -49.76 64.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.863 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.607 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -54.66 -57.31 11.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.367 -175.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 936' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 26.4 pt20 -73.64 -11.08 60.3 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -173.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 22.7 m170 . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 120.881 0.372 . . . . 0.0 111.153 179.154 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 951' ' ' LEU . 3.1 mm? . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 952' ' ' LEU . . . . . 0.657 HD21 ' HA ' ' A' 1004 ' ' ALA . 76.5 mt -47.3 -60.82 2.23 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 122.93 0.492 . . . . 0.0 112.319 -178.144 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 43.3 t -51.74 -42.93 32.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 111.486 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -71.61 -39.23 70.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.653 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 15.7 m -70.42 -39.89 74.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.766 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 99.5 m -61.84 -35.7 79.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.189 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 957' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 961' ' ' GLU . 98.8 mttt -66.96 -40.89 87.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 0.0 110.52 176.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.83 -48.25 66.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.864 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.58 HG11 ' HB1' ' A' ' 928' ' ' ALA . 89.8 t -60.97 -38.8 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.817 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -62.84 -20.96 65.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.754 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 961' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 42.1 mt-10 -83.94 -26.99 28.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.077 0.465 . . . . 0.0 110.338 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 962' ' ' GLN . . . . . 0.709 ' HG3' ' HG3' ' A' ' 996' ' ' PRO . 11.2 mm100 -91.99 -26.92 18.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.563 -172.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.694 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 86.6 mt -54.59 -53.44 60.11 Favored Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.743 177.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.694 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 36.9 Cg_exo -59.09 -35.69 97.6 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.096 1.864 . . . . 0.0 111.895 176.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 73.6 mt -64.29 -40.3 95.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.717 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 970' ' ' VAL . 55.0 mt -56.79 -61.75 2.22 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.186 174.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 57.7 t -60.68 -36.63 71.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.304 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -62.03 -43.84 97.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.9 -43.46 96.0 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.987 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 966' ' ' LEU . 43.8 t -57.2 -55.7 19.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.746 0.307 . . . . 0.0 110.25 177.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -60.15 -37.97 81.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.448 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.7 -39.98 98.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.814 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 15.3 m -77.0 -16.41 59.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.815 0.34 . . . . 0.0 110.876 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 95.0 mt-30 -84.38 -44.08 14.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.004 0.431 . . . . 0.0 110.302 175.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -66.09 -33.36 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.977 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -97.01 104.65 19.62 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 174.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.0 -61.14 0.63 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.046 2.497 . . . . 0.0 112.869 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -138.11 81.07 1.84 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.132 0.492 . . . . 0.0 109.675 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.413 ' HA ' ' HD2' ' A' ' 980' ' ' PRO . 29.8 t -120.18 122.71 28.7 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.471 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.603 ' HA ' ' HG2' ' A' ' 983' ' ' GLN . 23.0 Cg_endo -62.76 -30.68 78.3 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.453 2.102 . . . . 0.0 111.295 177.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 47.6 t -68.12 -40.56 82.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.206 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -70.08 -50.53 39.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 983' ' ' GLN . . . . . 0.603 ' HG2' ' HA ' ' A' ' 980' ' ' PRO . 20.4 pt20 -60.28 -38.54 83.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.219 -176.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 984' ' ' LEU . . . . . 0.422 HD13 HD12 ' A' ' 987' ' ' ILE . 3.2 mm? -66.26 -33.26 75.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.94 177.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -68.11 -34.66 76.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.138 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 986' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 917' ' ' LEU . 0.6 OUTLIER -64.91 -47.56 77.34 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.753 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 987' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 983' ' ' GLN . 67.5 mt -56.56 -47.55 81.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.295 177.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -56.04 -49.82 72.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.263 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.87 97.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.008 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.514 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 30.6 m -58.91 -50.63 73.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.13 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 991' ' ' GLN . . . . . 0.657 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.7 mt-30 -65.11 -39.32 92.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.104 0.478 . . . . 0.0 110.969 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 55.0 m -69.49 -20.76 63.73 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.513 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.492 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 85.7 t80 -83.49 -28.58 28.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.943 0.402 . . . . 0.0 110.326 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 991' ' ' GLN . 71.0 mt -60.82 -37.65 82.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.127 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.59 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 52.0 tp60 -56.28 -62.38 4.92 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.003 -178.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.709 ' HG3' ' HG3' ' A' ' 962' ' ' GLN . 73.8 Cg_endo -76.39 -30.93 4.86 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.508 1.472 . . . . 0.0 112.492 179.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.462 ' O ' HG23 ' A' 1001 ' ' VAL . . . -64.64 -51.33 52.81 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.084 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -67.41 -20.88 71.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.996 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -77.25 -35.67 55.19 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 53.9 ttp -74.47 -27.42 60.58 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.154 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 997' ' ' GLY . 77.0 t -60.07 -48.28 88.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.99 174.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -67.51 -42.21 83.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.48 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -57.19 -41.83 80.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.07 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.657 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -64.99 -49.22 71.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.78 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 68.8 mttm -59.53 -36.88 77.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.208 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -77.51 -19.3 56.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.468 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1007 ' ' SER . . . . . 0.504 ' O ' HG13 ' A' 1011 ' ' ILE . 68.2 m -92.92 -15.48 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.481 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.562 HG13 ' HB1' ' A' 1017 ' ' ALA . 80.9 t -54.91 -51.69 77.13 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1009 ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' 1008 ' ' VAL . 41.1 Cg_endo -68.53 -17.23 43.46 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.991 1.794 . . . . 0.0 113.344 -178.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 46.9 p -88.4 -3.67 58.79 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.191 0.52 . . . . 0.0 111.09 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1011 ' ' ILE . . . . . 0.559 HD11 HD12 ' A' 1020 ' ' LEU . 66.9 mt -95.83 132.58 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.585 176.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -84.7 -37.02 21.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.838 0.352 . . . . 0.0 110.269 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -69.91 110.64 5.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.928 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -57.42 -38.58 74.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.357 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.99 98.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 0.0 110.761 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1016 ' ' SER . . . . . 0.511 ' HB2' HG21 ' A' 1011 ' ' ILE . 19.9 m -67.14 -39.77 86.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.053 0.454 . . . . 0.0 110.198 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.562 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -63.6 -42.84 98.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.586 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 87.2 mtp -68.61 -30.23 68.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.071 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -65.34 -46.67 79.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1020 ' ' LEU . . . . . 0.607 HD21 ' HA ' ' A' ' 935' ' ' ALA . 11.5 mt -62.96 -44.62 95.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.684 175.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 34.5 t -58.52 -36.46 73.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.864 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -74.25 -49.86 21.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1023 ' ' CYS . . . . . 0.65 ' HA ' ' OD1' ' A' 1026 ' ' ASN . 83.9 m -66.42 -42.79 87.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.758 -175.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.63 72.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.103 0.477 . . . . 0.0 110.658 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -72.01 -40.61 68.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.099 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1026 ' ' ASN . . . . . 0.65 ' OD1' ' HA ' ' A' 1023 ' ' CYS . 0.8 OUTLIER -81.07 -33.83 33.14 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.593 -179.127 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 67.4 tp -64.56 -41.79 96.09 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 175.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.51 -40.01 93.88 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.989 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 16.2 m -75.2 -32.82 61.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.98 0.419 . . . . 0.0 110.605 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -63.66 -45.05 91.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.247 0.546 . . . . 0.0 110.011 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.97 -30.13 67.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.673 177.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.54 -59.67 4.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.287 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.29 -35.47 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.077 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.95 -48.08 83.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.06 0.457 . . . . 0.0 110.432 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -63.27 -46.02 88.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.674 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 93.5 m -61.54 -44.43 97.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.996 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.85 82.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.976 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.79 92.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.207 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -64.79 -44.69 89.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.195 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.33 -45.12 85.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.602 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -62.42 -33.6 75.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.914 -177.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 53.8 tt0 . . . . . 0 C--N 1.326 -0.455 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.057 -177.677 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 33.9 mt . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.98 0.419 . . . . 0.0 109.882 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 914' ' ' VAL . . . . . 0.416 ' HA ' HD12 ' A' ' 917' ' ' LEU . 27.2 m -69.99 -25.58 28.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.763 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -44.48 85.01 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 173.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 916' ' ' ARG . . . . . 0.783 ' HA ' ' CD2' ' A' ' 919' ' ' HIS . 15.0 mtp180 -67.86 -39.83 83.71 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.384 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 917' ' ' LEU . . . . . 0.572 ' HB3' HD22 ' A' ' 986' ' ' LEU . 75.6 mt -54.09 -43.68 70.56 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.406 0.442 . . . . 0.0 110.288 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 47.9 mt-10 -55.15 -58.34 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.813 176.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 919' ' ' HIS . . . . . 0.783 ' CD2' ' HA ' ' A' ' 916' ' ' ARG . 10.6 p80 -72.23 -24.52 61.39 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -173.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -80.11 -45.87 17.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.346 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.39 -36.22 82.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.493 0.187 . . . . 0.0 111.261 -178.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -60.75 -51.9 67.37 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.971 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -69.25 -33.28 73.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.686 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -63.15 -48.04 80.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 925' ' ' ALA . . . . . 0.553 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.78 -41.23 90.65 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.78 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 926' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 930' ' ' GLN . . . -65.14 -52.63 54.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.068 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 13.9 t -62.92 -37.49 87.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.687 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 928' ' ' ALA . . . . . 0.571 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -60.12 -44.78 94.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.614 177.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 57.6 m -57.15 -40.86 78.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.539 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 930' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 926' ' ' ALA . 64.8 mt-30 -68.87 -42.84 76.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.457 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 23.5 m -65.21 -39.32 92.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.464 -177.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 956' ' ' CYS . 83.5 mt -61.01 -50.97 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.921 0.391 . . . . 0.0 110.681 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.98 87.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.351 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 934' ' ' ALA . . . . . 0.509 ' HB1' ' HG3' ' A' 1019 ' ' GLN . . . -63.38 -48.89 76.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.907 177.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.682 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -59.1 -49.72 76.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.441 -177.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -67.26 -28.21 67.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.505 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.707 0.289 . . . . 0.0 111.139 -179.565 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 952' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 952' ' ' LEU . 30.6 mt -58.19 -58.38 8.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 953' ' ' VAL . . . . . 0.597 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 42.1 t -65.43 -26.87 40.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.938 0.399 . . . . 0.0 111.399 -174.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 954' ' ' GLN . . . . . 0.532 ' HA ' ' OE1' ' A' ' 954' ' ' GLN . 6.0 tp60 -79.58 -37.73 35.66 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.856 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 955' ' ' SER . . . . . 0.481 ' HB2' ' HB2' ' A' 1000 ' ' MET . 30.3 p -78.17 -39.85 39.57 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.054 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 956' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 21.2 p -60.71 -41.62 95.62 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.237 -176.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -67.64 -36.46 80.8 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.705 0.288 . . . . 0.0 110.536 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 958' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -70.58 -51.95 24.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.582 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 963' ' ' ILE . 97.0 t -57.53 -40.24 73.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.883 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.17 66.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.827 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -83.64 -22.41 32.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.729 0.299 . . . . 0.0 111.191 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 962' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 958' ' ' ALA . 86.3 mm-40 -83.47 -23.65 32.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.238 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.709 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 93.1 mt -56.32 -54.82 48.84 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.709 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 41.1 Cg_exo -58.28 -32.52 96.14 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.01 1.807 . . . . 0.0 112.24 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.16 -37.58 81.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.802 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 970' ' ' VAL . 78.8 mt -60.72 -56.23 23.79 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.283 174.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 52.2 t -61.82 -39.66 84.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.329 -175.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -64.49 -34.91 79.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.009 0.433 . . . . 0.0 110.047 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -67.47 -46.5 69.34 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.631 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 966' ' ' LEU . 42.3 t -58.38 -52.24 61.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.883 0.373 . . . . 0.0 110.359 177.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.45 -25.57 68.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.303 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -67.23 -44.13 87.13 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.721 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 20.5 t -72.77 -32.94 65.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.055 0.455 . . . . 0.0 110.172 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -68.16 -27.6 66.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -76.5 -41.08 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 110.634 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -133.79 95.55 17.32 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.05 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -69.19 -14.17 37.4 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.785 2.323 . . . . 0.0 112.149 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -120.59 74.77 1.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.442 0.639 . . . . 0.0 109.382 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 983' ' ' GLN . 33.5 t -159.33 108.56 1.52 Allowed Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.35 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.89 -35.71 98.62 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.568 2.178 . . . . 0.0 111.236 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 25.4 t -63.35 -44.55 94.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.368 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.31 94.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.83 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 983' ' ' GLN . . . . . 0.476 ' O ' HG13 ' A' ' 987' ' ' ILE . 40.0 mm-40 -65.95 -49.91 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.005 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.39 -24.98 65.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.702 -177.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -68.96 -45.9 69.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.838 0.351 . . . . 0.0 110.154 175.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 986' ' ' LEU . . . . . 0.572 HD22 ' HB3' ' A' ' 917' ' ' LEU . 2.4 tt -69.33 -46.94 65.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.783 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 987' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 983' ' ' GLN . 78.1 mt -56.49 -45.88 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.907 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -67.87 -42.05 81.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.98 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.78 85.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.822 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.588 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 36.2 m -60.22 -51.23 70.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.677 178.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 991' ' ' GLN . . . . . 0.639 ' HA ' HD12 ' A' ' 994' ' ' LEU . 68.7 mt-30 -64.9 -36.09 83.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.726 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 48.9 m -70.31 -18.5 63.1 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.3 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.571 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 88.4 t80 -93.42 -32.13 14.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.672 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 991' ' ' GLN . 81.8 mt -56.62 -43.89 80.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.497 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.599 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 54.5 tp60 -60.32 -60.75 9.61 Favored Pre-proline 0 CA--C 1.543 0.679 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.995 -175.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 59.4 Cg_endo -73.07 -30.08 11.14 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.624 1.549 . . . . 0.0 112.285 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.456 ' O ' HG23 ' A' 1001 ' ' VAL . . . -64.65 -45.27 93.38 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.697 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.43 -34.81 86.87 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.829 177.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 999' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 98.1 mttt -63.1 -41.44 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.598 0.237 . . . . 0.0 110.732 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1000 ' ' MET . . . . . 0.481 ' HB2' ' HB2' ' A' ' 955' ' ' SER . 44.9 ttp -72.3 -33.48 67.42 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -177.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 997' ' ' GLY . 99.0 t -59.19 -49.62 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.999 0.428 . . . . 0.0 110.036 174.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.41 94.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.962 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.56 80.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.232 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' 1008 ' ' VAL . . . -61.22 -49.29 77.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.401 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.76 -28.99 69.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.941 0.401 . . . . 0.0 111.347 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -80.45 -15.11 57.56 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1007 ' ' SER . . . . . 0.504 ' O ' HG13 ' A' 1011 ' ' ILE . 18.9 m -91.67 -21.15 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.67 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.46 ' N ' ' HD2' ' A' 1009 ' ' PRO . 48.6 t -54.56 -49.26 92.08 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1009 ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' 1008 ' ' VAL . 56.0 Cg_endo -70.88 -15.45 32.89 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.896 1.731 . . . . 0.0 113.228 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 36.8 p -94.77 7.75 44.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.955 0.407 . . . . 0.0 111.14 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1011 ' ' ILE . . . . . 0.663 HG21 ' HB2' ' A' 1016 ' ' SER . 66.3 mt -111.09 128.33 67.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.828 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -85.99 -19.66 30.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.953 0.406 . . . . 0.0 110.524 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.27 118.21 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.239 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.55 -36.66 84.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.481 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.37 87.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.888 0.375 . . . . 0.0 111.184 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1016 ' ' SER . . . . . 0.663 ' HB2' HG21 ' A' 1011 ' ' ILE . 29.0 m -68.65 -40.81 80.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.431 176.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -62.55 -47.96 81.56 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.156 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 25.2 ptt? -66.05 -32.32 73.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.567 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1019 ' ' GLN . . . . . 0.509 ' HG3' ' HB1' ' A' ' 934' ' ' ALA . 8.5 tp-100 -63.2 -46.66 85.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.447 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1020 ' ' LEU . . . . . 0.682 HD21 ' HA ' ' A' ' 935' ' ' ALA . 25.0 mt -68.11 -46.68 70.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.358 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 7.8 t -60.97 -35.49 76.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.845 0.355 . . . . 0.0 110.713 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -67.38 -60.02 2.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.806 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 58.5 m -62.73 -48.56 78.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.895 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.3 -32.31 73.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.208 -176.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -73.76 -39.31 64.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.993 0.425 . . . . 0.0 110.057 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -66.43 -44.53 82.62 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.641 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1027 ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' 1031 ' ' LEU . 51.2 tp -60.04 -41.43 92.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.132 176.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -62.08 -44.11 98.21 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.455 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 18.3 m -70.36 -31.75 69.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.126 0.488 . . . . 0.0 110.624 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -64.88 -48.21 75.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.104 175.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1031 ' ' LEU . . . . . 0.594 HD22 HD23 ' A' ' 994' ' ' LEU . 97.3 mt -64.27 -33.37 75.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.619 177.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.48 -55.55 27.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.447 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.43 -28.95 46.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.892 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 58.2 tp -63.63 -47.75 80.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.905 0.384 . . . . 0.0 110.27 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -60.63 -47.46 86.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.722 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 23.0 m -63.01 -40.72 98.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.828 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -69.39 -47.15 65.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.175 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1038 ' ' ALA . . . . . 0.405 ' CA ' HD21 ' A' ' 917' ' ' LEU . . . -63.13 -33.75 76.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.072 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -65.41 -49.37 69.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.098 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.13 -40.62 90.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.116 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.93 83.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.066 0.46 . . . . 0.0 110.876 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 47.0 tt0 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.783 178.95 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 916' ' ' ARG . 37.5 mt . . . . . 0 N--CA 1.457 -0.102 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 914' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 12.3 m -72.22 -15.32 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.756 0.313 . . . . 0.0 111.426 -175.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -66.25 -43.73 85.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.941 0.401 . . . . 0.0 110.5 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 916' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 913' ' ' LEU . 10.2 ptp180 -75.12 -20.99 59.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.906 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 62.4 tp -68.19 -46.65 70.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.011 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 47.1 mt-10 -56.25 -50.29 71.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.169 0.509 . . . . 0.0 110.043 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -59.09 -45.34 91.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.13 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -67.28 -41.88 84.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.459 -177.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.29 92.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.549 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 922' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 99.6 mttt -59.47 -52.03 67.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.789 0.328 . . . . 0.0 110.808 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -71.87 -27.96 63.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.343 -177.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 924' ' ' ALA . . . . . 0.546 ' HA ' ' HB1' ' A' 1030 ' ' ALA . . . -68.73 -48.39 63.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.843 0.354 . . . . 0.0 110.159 176.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 925' ' ' ALA . . . . . 0.595 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.63 -35.46 74.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.358 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -69.55 -58.5 3.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.353 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 18.9 p -59.49 -34.37 72.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.698 0.285 . . . . 0.0 111.228 -176.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 928' ' ' ALA . . . . . 0.566 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -59.5 -40.89 88.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 175.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 46.0 m -59.82 -49.37 77.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.492 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -60.94 -41.02 95.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.359 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 24.9 m -63.99 -42.68 97.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 0.0 110.408 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 956' ' ' CYS . 79.6 mt -60.75 -51.15 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.754 176.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.29 -26.0 66.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.469 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -83.42 -50.54 8.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.574 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -63.65 -57.6 9.54 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -172.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 936' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 13.1 pt20 -74.02 -10.51 59.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -173.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.002 0.43 . . . . 0.0 110.025 178.511 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 N--CA 1.462 0.167 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 952' ' ' LEU . . . . . 0.456 HD21 ' HA ' ' A' 1004 ' ' ALA . 58.2 mt -58.45 -57.41 13.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.922 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 79.7 t -55.89 -43.41 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.504 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -63.62 -49.65 72.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.989 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 955' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 959' ' ' VAL . 20.3 m -65.74 -39.89 91.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.039 -178.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 956' ' ' CYS . . . . . 0.59 ' HB3' HG23 ' A' ' 932' ' ' ILE . 73.2 m -58.15 -47.53 83.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.808 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -67.09 -30.42 70.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.759 0.314 . . . . 0.0 110.395 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -70.24 -48.18 58.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.617 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 963' ' ' ILE . 92.5 t -61.67 -37.22 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.653 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.98 -22.91 64.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.694 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -83.32 -24.11 32.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.836 0.351 . . . . 0.0 111.124 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 962' ' ' GLN . . . . . 0.438 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 88.1 mm-40 -88.4 -23.77 23.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.151 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.595 HG23 ' HB1' ' A' ' 925' ' ' ALA . 76.6 mt -55.72 -54.82 47.53 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.3 Cg_endo -59.25 -33.16 97.93 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.011 1.807 . . . . 0.0 112.0 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.93 -39.13 90.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.514 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 970' ' ' VAL . 82.0 mt -60.17 -59.95 4.6 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.021 175.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 40.6 t -61.1 -40.1 84.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.569 -174.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -60.6 -40.38 91.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.146 0.498 . . . . 0.0 109.718 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.94 -43.46 91.28 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.742 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 966' ' ' LEU . 25.0 t -59.77 -46.28 93.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.91 0.385 . . . . 0.0 110.537 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -67.44 -26.19 66.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.621 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -68.42 -38.12 86.58 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 173.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 42.4 t -68.59 -32.72 72.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 109.883 174.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 76.6 mt-30 -65.39 -32.63 74.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.37 175.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -73.42 -59.31 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.576 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -139.96 95.36 8.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.473 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.87 -17.37 29.0 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 122.552 2.168 . . . . 0.0 112.581 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -92.76 0.65 57.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.963 0.411 . . . . 0.0 110.399 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 29.6 t -92.67 119.24 68.04 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.437 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -61.42 -33.34 88.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.252 . . . . 0.0 111.848 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 32.8 m -62.1 -34.39 76.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -79.68 -42.59 24.41 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.614 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 983' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -65.76 -47.18 76.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.478 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 63.8 mt -60.65 -33.48 72.88 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.629 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.65 96.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.907 0.385 . . . . 0.0 110.482 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.97 -51.1 43.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.81 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 987' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' 1042 ' ' GLN . 88.3 mt -58.06 -52.44 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.465 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.03 96.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.049 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -62.68 -36.32 82.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.971 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.536 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 31.5 m -69.22 -44.37 72.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.997 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 991' ' ' GLN . . . . . 0.522 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.5 mt-30 -64.58 -40.04 94.83 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.258 0.551 . . . . 0.0 110.398 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 11.1 t -73.1 -14.27 61.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.343 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.566 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 83.1 t80 -88.41 -33.8 17.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.141 177.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 990' ' ' SER . 88.1 mt -56.12 -46.2 79.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.618 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.458 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.2 tp-100 -57.17 -60.18 10.44 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -176.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.764 ' HA ' ' HG2' ' A' ' 999' ' ' LYS . 55.8 Cg_endo -71.99 -29.5 14.9 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.348 1.365 . . . . 0.0 112.351 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' 1001 ' ' VAL . . . -63.25 -51.18 56.91 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.581 177.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -63.69 -36.69 93.66 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.683 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 999' ' ' LYS . . . . . 0.764 ' HG2' ' HA ' ' A' ' 996' ' ' PRO . 4.2 ptpp? -72.84 -21.12 61.0 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.801 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 56.2 ttp -83.02 -32.7 26.77 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 997' ' ' GLY . 96.3 t -59.32 -51.04 77.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.01 174.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.83 96.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.114 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -59.52 -44.03 93.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.56 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' 1008 ' ' VAL . . . -61.33 -47.51 85.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.931 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 97.5 mttt -57.76 -36.78 72.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.699 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -79.76 -23.06 42.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.501 -176.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1007 ' ' SER . . . . . 0.496 ' O ' HG13 ' A' 1011 ' ' ILE . 69.7 m -85.05 -21.81 29.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.257 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' 1004 ' ' ALA . 78.5 t -51.84 -57.4 14.93 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1009 ' ' PRO . . . . . 0.518 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 59.3 Cg_endo -72.1 -13.17 28.57 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 121.963 1.775 . . . . 0.0 113.434 -176.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 22.8 p -91.88 -14.89 28.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.328 . . . . 0.0 111.598 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1011 ' ' ILE . . . . . 0.61 HG21 ' HB2' ' A' 1016 ' ' SER . 75.7 mt -84.42 141.24 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.306 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -84.42 -41.85 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -65.54 113.73 4.39 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.295 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' A' 1018 ' ' MET . 0.5 OUTLIER -65.86 -31.32 72.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.992 -175.286 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -67.82 -37.34 81.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.528 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1016 ' ' SER . . . . . 0.61 ' HB2' HG21 ' A' 1011 ' ' ILE . 7.2 m -65.38 -43.66 90.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.894 177.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.477 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -64.28 -46.51 83.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.182 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1018 ' ' MET . . . . . 0.446 ' HG3' ' O ' ' A' 1014 ' ' GLN . 67.2 mtt -60.72 -47.87 84.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -61.73 -44.32 97.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.813 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1020 ' ' LEU . . . . . 0.574 HD21 ' HA ' ' A' ' 935' ' ' ALA . 12.8 mt -59.99 -52.48 65.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.758 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 26.0 t -59.02 -38.19 78.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.876 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -70.67 -48.67 53.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.018 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 77.2 m -63.4 -44.99 93.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.213 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.14 -31.71 72.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.15 0.5 . . . . 0.0 110.86 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -66.46 -48.05 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.126 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -68.72 -39.05 80.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.941 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1027 ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' 1031 ' ' LEU . 63.3 tp -64.11 -37.91 89.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.057 176.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -60.26 -46.88 93.46 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.277 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 5.6 m -68.86 -33.62 74.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.982 0.42 . . . . 0.0 110.568 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1030 ' ' ALA . . . . . 0.546 ' HB1' ' HA ' ' A' ' 924' ' ' ALA . . . -61.53 -43.54 98.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.076 176.049 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1031 ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' 1027 ' ' LEU . 91.0 mt -67.94 -36.45 80.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.413 175.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.5 88.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.449 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.93 -55.46 19.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.217 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1034 ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' 1034 ' ' LEU . 6.8 mt -50.8 -56.46 12.02 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.674 0.609 . . . . 0.0 112.119 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1035 ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' 1035 ' ' ARG . 42.7 ttp180 -52.62 -48.33 66.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.625 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1036 ' ' THR . . . . . 0.446 HG22 ' HE2' ' A' 1040 ' ' LYS . 27.6 m -71.26 -43.23 67.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.009 0.433 . . . . 0.0 111.168 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.93 61.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.192 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -65.78 -33.74 76.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.045 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -62.09 -53.44 55.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.729 0.3 . . . . 0.0 110.518 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1040 ' ' LYS . . . . . 0.446 ' HE2' HG22 ' A' 1036 ' ' THR . 58.2 mtmt -69.55 -34.46 74.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.217 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -71.64 -31.14 66.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 111.189 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1042 ' ' GLN . . . . . 0.515 ' HA ' HD13 ' A' ' 987' ' ' ILE . 24.2 tm0? . . . . . 0 C--N 1.327 -0.389 0 CA-C-O 121.107 0.48 . . . . 0.0 110.154 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' 1041 ' ' ALA . 88.9 mt . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.859 0.361 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 27.4 m -77.95 -25.05 14.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.664 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.48 -43.37 97.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 0.0 110.683 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 916' ' ' ARG . . . . . 0.4 ' HG3' ' HB1' ' A' 1037 ' ' ALA . 16.1 ptm180 -72.71 -24.66 61.03 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.158 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.92 -52.8 25.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.807 175.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -50.16 -54.98 17.04 Favored 'General case' 0 N--CA 1.462 0.151 0 O-C-N 123.361 0.413 . . . . 0.0 111.47 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -66.15 -32.63 74.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.98 -175.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -75.62 -43.64 46.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.911 0.386 . . . . 0.0 110.743 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.62 88.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.31 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -55.45 -53.88 50.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.083 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -67.97 -31.36 71.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.622 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.23 -50.33 66.24 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 176.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 925' ' ' ALA . . . . . 0.71 ' HB2' HD12 ' A' ' 966' ' ' LEU . . . -61.15 -41.6 97.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.748 178.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.58 -48.69 71.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.168 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 18.7 t -65.78 -34.53 78.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.333 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.31 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 174.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 49.0 m -59.3 -43.67 92.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.26 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -61.06 -45.82 93.18 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.577 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 23.7 m -64.03 -39.24 93.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.798 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.631 HG23 ' SG ' ' A' ' 956' ' ' CYS . 52.6 mt -59.76 -48.56 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.805 0.336 . . . . 0.0 110.575 176.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.54 81.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.518 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.09 98.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.84 75.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.358 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -70.07 -25.11 63.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.473 -176.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 37.9 m80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.732 0.301 . . . . 0.0 111.393 178.715 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.465 ' HG ' ' HB2' ' A' 1003 ' ' ALA . 14.8 tp . . . . . 0 N--CA 1.468 0.44 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 28.8 mt -41.4 -45.42 3.1 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 44.6 t -58.32 -39.29 73.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.021 0.438 . . . . 0.0 111.366 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -77.45 -46.32 22.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.012 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 955' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 959' ' ' VAL . 11.9 m -61.08 -41.19 96.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.667 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 956' ' ' CYS . . . . . 0.631 ' SG ' HG23 ' A' ' 932' ' ' ILE . 36.3 t -55.56 -44.49 76.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.948 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.79 -44.19 86.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.636 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -62.46 -47.24 84.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.037 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 963' ' ' ILE . 89.6 t -64.03 -42.34 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -57.96 -28.29 64.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.45 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -82.0 -27.6 33.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 962' ' ' GLN . . . . . 0.901 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 84.2 mm-40 -88.36 -33.38 17.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.042 -175.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 959' ' ' VAL . 78.5 mt -48.11 -54.59 23.53 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.279 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 11.6 Cg_endo -56.02 -46.17 33.1 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.146 1.897 . . . . 0.0 112.344 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.92 -35.66 80.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.145 0.498 . . . . 0.0 110.344 -177.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 925' ' ' ALA . 2.1 tm? -67.47 -47.19 70.82 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.909 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 71.7 t -68.41 -39.63 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.101 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 968' ' ' GLN . . . . . 0.432 ' HA ' ' OE1' ' A' ' 968' ' ' GLN . 15.9 mm-40 -64.92 -27.29 68.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 110.183 175.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.5 -44.9 89.05 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 173.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 974' ' ' GLN . 38.6 t -59.49 -52.15 64.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.017 0.437 . . . . 0.0 110.327 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 971' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 971' ' ' ARG . 36.5 mtp85 -68.52 -24.09 64.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.191 -177.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.64 -40.67 98.86 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.511 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 973' ' ' SER . . . . . 0.411 ' HB2' HD12 ' A' ' 986' ' ' LEU . 34.6 t -69.67 -25.49 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.295 0.569 . . . . 0.0 110.218 177.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 80.2 mt-30 -81.06 -34.54 32.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.462 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -77.03 -34.18 57.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.631 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -122.4 89.77 49.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.402 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.24 -60.87 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.611 2.874 . . . . 0.0 113.683 -172.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -120.5 71.91 0.94 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.604 0.716 . . . . 0.0 110.716 -175.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 980' ' ' PRO . 51.0 m -130.17 120.63 19.24 Favored Pre-proline 0 N--CA 1.443 -0.788 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.89 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 979' ' ' SER . 5.9 Cg_endo -49.71 -41.54 45.71 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.295 2.663 . . . . 0.0 112.303 178.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 10.7 p -59.08 -50.91 72.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.983 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.24 86.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.183 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 983' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 987' ' ' ILE . 1.9 mp0 -58.04 -51.14 70.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.961 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 37.6 tp -66.66 -29.29 69.27 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.058 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.63 97.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.38 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 986' ' ' LEU . . . . . 0.411 HD12 ' HB2' ' A' ' 973' ' ' SER . 3.1 tt -66.87 -45.32 78.44 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 987' ' ' ILE . . . . . 0.603 HG21 ' HB2' ' A' 1042 ' ' GLN . 81.5 mt -57.37 -49.89 78.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.816 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.59 98.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.07 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 989' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 966' ' ' LEU . . . -61.7 -41.23 97.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.861 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.669 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.2 m -58.63 -49.16 78.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.666 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 991' ' ' GLN . . . . . 0.732 ' HA ' HD12 ' A' ' 994' ' ' LEU . 65.6 mt-30 -68.55 -35.01 76.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.613 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 24.2 t -66.59 -22.87 66.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.532 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.509 ' CG ' ' HG ' ' A' ' 966' ' ' LEU . 45.9 t80 -88.4 -29.2 20.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.577 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 991' ' ' GLN . 69.0 mt -63.64 -41.96 98.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.622 -178.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.792 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.5 tp60 -57.26 -60.96 8.08 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.852 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.901 ' HG2' ' HG3' ' A' ' 962' ' ' GLN . 12.0 Cg_exo -70.45 -38.69 5.97 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 121.938 1.759 . . . . 0.0 111.878 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.522 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.42 -50.62 65.59 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.242 -178.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.66 -35.49 91.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.097 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -69.73 -32.69 71.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.475 0.179 . . . . 0.0 111.114 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 47.1 ttp -74.2 -31.32 62.6 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 997' ' ' GLY . 71.2 t -62.03 -50.64 79.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 172.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -58.52 -42.37 87.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.86 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1003 ' ' ALA . . . . . 0.465 ' HB2' ' HG ' ' A' ' 951' ' ' LEU . . . -63.09 -48.29 79.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.152 178.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' 1008 ' ' VAL . . . -58.63 -51.13 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.061 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.62 -29.35 70.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.599 -178.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -80.62 -24.72 38.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.992 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1007 ' ' SER . . . . . 0.584 ' O ' HG13 ' A' 1011 ' ' ILE . 32.6 t -85.12 -23.95 28.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.566 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' 1004 ' ' ALA . 69.2 t -51.51 -53.74 46.74 Favored Pre-proline 0 CA--C 1.541 0.606 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1009 ' ' PRO . . . . . 0.404 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 58.8 Cg_endo -71.99 -14.66 29.31 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 121.762 1.641 . . . . 0.0 113.06 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 25.4 p -95.42 -1.0 51.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.949 0.404 . . . . 0.0 111.38 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1011 ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' 1007 ' ' SER . 83.5 mt -90.61 135.88 25.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -76.54 -35.63 58.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.039 0.447 . . . . 0.0 110.554 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -83.9 108.79 17.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.354 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.1 -26.29 63.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.77 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1015 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' 1018 ' ' MET . . . -67.34 -38.54 85.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.251 0.548 . . . . 0.0 109.892 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 41.3 m -72.69 -34.36 67.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.361 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.547 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -63.95 -44.47 92.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.029 177.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1018 ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' 1015 ' ' ALA . 26.6 ptm -68.85 -25.45 64.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.342 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -65.79 -46.46 78.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.105 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.69 -42.5 95.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.862 175.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 26.0 t -60.85 -43.27 98.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.88 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -60.23 -48.17 82.86 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.794 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 61.7 m -64.23 -47.58 79.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.014 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.26 83.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.421 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.83 -45.93 90.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.489 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -67.07 -52.6 40.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.793 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.12 -47.39 78.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.33 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.84 -40.04 96.21 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.766 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 22.0 m -75.79 -35.8 59.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.983 0.42 . . . . 0.0 110.559 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.7 -48.1 82.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.29 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1031 ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 994' ' ' LEU . 94.6 mt -66.09 -32.06 73.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.575 177.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.44 74.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.127 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.35 -22.15 30.66 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.324 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 57.7 tp -66.63 -46.18 76.64 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 174.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -61.49 -40.15 93.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.296 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 47.2 m -63.8 -47.51 80.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.693 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1037 ' ' ALA . . . . . 0.4 ' HB1' ' HG3' ' A' ' 916' ' ' ARG . . . -65.1 -46.25 81.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.678 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.42 82.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.009 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -62.79 -52.62 62.48 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 67.9 mttm -56.49 -46.35 80.53 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.5 0.5 . . . . 0.0 111.661 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1041 ' ' ALA . . . . . 0.575 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -66.31 -25.95 67.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.438 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1042 ' ' GLN . . . . . 0.603 ' HB2' HG21 ' A' ' 987' ' ' ILE . 18.5 tm0? . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.574 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.688 0.28 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 10.9 m -85.64 -35.4 9.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -57.17 -34.01 68.04 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.246 0.546 . . . . 0.0 110.612 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -65.78 -36.17 82.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.621 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.89 -53.94 13.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.42 ' OE1' HD13 ' A' ' 986' ' ' LEU . 0.3 OUTLIER -49.09 -42.56 39.37 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.489 0.493 . . . . 0.0 111.46 176.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -75.07 -40.33 60.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.577 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.72 81.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.671 0.272 . . . . 0.0 111.053 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.08 95.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.956 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -57.72 -54.13 50.34 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.167 0.508 . . . . 0.0 110.615 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -69.93 -34.67 73.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.132 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.08 92.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.852 0.358 . . . . 0.0 110.306 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.19 89.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.425 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.04 -52.75 54.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.114 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 56.6 m -61.5 -36.43 80.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.408 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 928' ' ' ALA . . . . . 0.444 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -62.35 -43.38 98.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.769 0.319 . . . . 0.0 110.25 175.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 36.3 m -60.83 -41.48 95.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.6 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -60.66 -46.17 91.35 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.056 0.455 . . . . 0.0 110.589 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 21.6 m -66.15 -38.79 88.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.096 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 932' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.89 -44.9 99.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 120.857 0.361 . . . . 0.0 110.827 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.38 -45.93 90.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.765 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -67.89 -42.09 81.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.003 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.542 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -56.24 -46.47 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.667 -178.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -65.16 -42.94 93.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.439 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 65.0 m80 . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.176 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 952' ' ' LEU . . . . . 0.412 HD13 ' HB1' ' A' ' 935' ' ' ALA . 68.3 mt -52.94 -32.12 43.98 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 122.909 0.484 . . . . 0.0 112.037 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 7.9 p -58.76 -42.73 86.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.338 0.589 . . . . 0.0 110.711 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -69.59 -46.52 66.14 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.366 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 955' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 959' ' ' VAL . 14.2 m -61.75 -42.87 99.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.079 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 34.5 t -53.21 -43.88 67.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.364 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.24 -39.7 95.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.003 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 958' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 961' ' ' GLU . . . -76.94 -32.16 57.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.226 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 963' ' ' ILE . 91.1 t -70.72 -44.89 76.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.009 0.433 . . . . 0.0 110.164 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -63.18 -22.32 66.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.305 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 961' ' ' GLU . . . . . 0.537 ' HG3' ' HG2' ' A' ' 962' ' ' GLN . 13.3 pt-20 -85.44 -22.81 28.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.729 0.3 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 962' ' ' GLN . . . . . 0.773 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 88.3 mm-40 -99.37 -21.09 16.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.746 -174.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 959' ' ' VAL . 70.3 mt -55.45 -52.65 69.95 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 176.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 16.6 Cg_endo -58.28 -36.63 97.51 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.001 1.801 . . . . 0.0 112.105 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.53 -36.65 84.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.918 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.596 ' O ' HG23 ' A' ' 970' ' ' VAL . 93.5 mt -57.29 -55.75 30.78 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.061 0.458 . . . . 0.0 109.894 173.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.17 -36.33 77.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.398 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 968' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 964' ' ' PRO . 86.3 mm-40 -60.49 -40.74 92.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.177 0.513 . . . . 0.0 109.698 173.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.11 -47.83 81.34 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.578 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 966' ' ' LEU . 62.0 t -56.37 -49.74 75.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.473 0.178 . . . . 0.0 110.965 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -59.39 -36.77 76.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.664 0.269 . . . . 0.0 111.289 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -71.95 -43.76 48.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.927 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 69.4 m -69.66 -28.74 66.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.882 0.372 . . . . 0.0 111.468 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -77.1 -32.26 56.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -77.02 -43.09 35.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.575 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -126.68 84.1 63.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.31 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.48 -7.63 19.77 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.526 2.15 . . . . 0.0 111.134 173.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -82.36 -37.05 26.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.448 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 43.9 t -72.89 115.02 35.98 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.082 -174.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.415 ' O ' HD23 ' A' ' 984' ' ' LEU . 25.6 Cg_exo -62.63 -33.82 76.36 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.457 2.104 . . . . 0.0 110.818 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 30.6 m -67.96 -27.87 66.97 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.872 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -67.49 -55.75 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 983' ' ' GLN . . . . . 0.558 ' O ' HG13 ' A' ' 987' ' ' ILE . 5.4 mp0 -56.11 -49.53 73.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.17 176.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 984' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' A' ' 987' ' ' ILE . 3.7 mm? -56.71 -37.22 70.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.376 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.01 99.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.707 0.289 . . . . 0.0 110.641 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 986' ' ' LEU . . . . . 0.42 HD13 ' OE1' ' A' ' 918' ' ' GLU . 0.7 OUTLIER -68.81 -42.12 77.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 987' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 983' ' ' GLN . 78.7 mt -55.94 -48.26 78.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.371 176.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -64.09 -44.25 92.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.822 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.98 88.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.188 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.589 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 48.3 m -62.21 -46.56 88.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 991' ' ' GLN . . . . . 0.702 ' HA ' HD12 ' A' ' 994' ' ' LEU . 79.7 mt-30 -67.22 -34.66 77.96 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.224 0.535 . . . . 0.0 110.44 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 45.2 t -66.66 -24.15 66.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.417 176.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.444 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 87.5 t80 -90.65 -29.48 17.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.732 178.407 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 991' ' ' GLN . 91.2 mt -54.63 -45.1 73.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.63 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.861 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.4 tp-100 -59.29 -62.18 6.36 Favored Pre-proline 0 CA--C 1.544 0.733 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.163 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.861 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 32.3 Cg_exo -60.35 -41.06 52.93 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.348 2.032 . . . . 0.0 112.598 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.451 ' O ' HG23 ' A' 1001 ' ' VAL . . . -61.28 -47.75 89.2 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.045 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.58 -30.04 73.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.149 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 999' ' ' LYS . . . . . 0.576 ' HD2' ' HA ' ' A' ' 996' ' ' PRO . 65.8 mttm -61.76 -47.33 85.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.648 0.261 . . . . 0.0 110.371 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 47.5 ttp -71.63 -32.29 67.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.572 -175.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 997' ' ' GLY . 87.5 t -61.14 -48.78 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.96 0.41 . . . . 0.0 110.207 175.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.13 81.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.872 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.14 89.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.284 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' 1008 ' ' VAL . . . -61.57 -46.96 87.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 0.0 110.613 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.76 -24.79 67.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.166 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -90.92 -13.26 33.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.194 -178.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 31.9 t -102.38 2.39 36.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.055 0.455 . . . . 0.0 110.489 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.649 HG13 ' HB1' ' A' 1017 ' ' ALA . 78.4 t -71.06 -56.63 5.44 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.32 176.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1009 ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' 1008 ' ' VAL . 35.5 Cg_endo -64.77 -20.45 64.88 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.132 1.888 . . . . 0.0 113.02 -176.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 34.7 p -77.65 -10.57 59.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.052 0.453 . . . . 0.0 111.041 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1011 ' ' ILE . . . . . 0.641 HG21 ' HB2' ' A' 1016 ' ' SER . 73.1 mt -95.16 111.72 26.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.142 0.496 . . . . 0.0 110.413 178.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1012 ' ' GLN . . . . . 0.428 ' CD ' ' H ' ' A' 1012 ' ' GLN . 0.2 OUTLIER -84.09 16.05 3.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.148 -178.7 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1013 ' ' ASP . . . . . 0.618 ' H ' HG22 ' A' 1011 ' ' ILE . 3.8 m-20 -96.48 -17.28 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.536 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 26.0 mp0 64.28 -56.77 0.24 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.761 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1015 ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' 1018 ' ' MET . . . -64.29 -40.56 96.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.792 0.33 . . . . 0.0 111.388 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1016 ' ' SER . . . . . 0.641 ' HB2' HG21 ' A' 1011 ' ' ILE . 16.5 m -68.33 -25.04 64.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.179 0.514 . . . . 0.0 110.261 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.649 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -77.95 -45.27 24.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.92 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1018 ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' 1015 ' ' ALA . 0.0 OUTLIER -66.13 -27.24 67.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.033 0.444 . . . . 0.0 110.054 178.339 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.78 -41.15 96.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.915 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1020 ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 935' ' ' ALA . 8.9 mt -66.45 -47.41 73.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.055 176.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 15.4 t -60.06 -40.38 89.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.704 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.29 -36.49 83.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.075 0.464 . . . . 0.0 110.875 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1023 ' ' CYS . . . . . 0.734 ' HA ' ' ND2' ' A' 1026 ' ' ASN . 81.2 m -75.68 -41.55 53.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.821 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.79 75.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.372 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -63.2 -57.95 8.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.929 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1026 ' ' ASN . . . . . 0.734 ' ND2' ' HA ' ' A' 1023 ' ' CYS . 5.9 p30 -66.85 -34.0 76.84 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.055 -174.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 64.2 tp -72.18 -37.91 69.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.815 0.34 . . . . 0.0 110.214 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -60.65 -46.24 94.82 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.129 -0.557 . . . . 0.0 112.038 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 17.4 m -71.19 -32.61 69.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.677 0.275 . . . . 0.0 110.532 177.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.22 82.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.972 0.415 . . . . 0.0 110.138 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.32 -34.9 79.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.47 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.8 -55.02 40.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.963 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -73.21 -30.85 63.8 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.937 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 64.0 tp -62.28 -51.05 69.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.996 0.427 . . . . 0.0 110.182 175.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -62.99 -41.1 99.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.564 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 33.4 m -63.63 -41.18 98.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.961 0.41 . . . . 0.0 110.55 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.75 -48.12 75.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.22 -37.9 87.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -48.95 79.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.093 0.473 . . . . 0.0 110.007 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -80.66 -6.09 57.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.967 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -87.7 -27.86 22.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.107 0.48 . . . . 0.0 110.109 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.113 177.748 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.587 HD13 ' HA ' ' A' 1041 ' ' ALA . 96.9 mt . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.78 0.324 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 914' ' ' VAL . . . . . 0.451 HG11 ' HG3' ' A' ' 983' ' ' GLN . 34.1 m -74.33 -22.26 17.84 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.679 176.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -67.37 -40.29 85.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.977 0.418 . . . . 0.0 110.65 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 916' ' ' ARG . . . . . 0.525 ' HG3' ' HB1' ' A' 1037 ' ' ALA . 19.5 ptp180 -72.68 -25.48 61.27 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.046 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 917' ' ' LEU . . . . . 0.422 ' HB3' HD22 ' A' ' 986' ' ' LEU . 19.3 mt -72.62 -41.41 65.57 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.61 174.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.631 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 19.9 mm-40 -44.8 -66.03 0.45 Allowed 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 123.77 0.669 . . . . 0.0 111.296 178.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -56.61 -43.65 80.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.167 -176.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.98 93.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.301 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.71 82.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.291 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 922' ' ' LYS . . . . . 0.631 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 42.0 mttm -60.76 -42.65 97.86 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -63.29 -53.31 54.88 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.746 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 924' ' ' ALA . . . . . 0.442 ' HB1' ' CE2' ' A' ' 993' ' ' PHE . . . -51.61 -48.02 63.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.004 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.16 94.79 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.958 0.409 . . . . 0.0 111.102 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.68 -56.24 17.25 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.467 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 9.1 t -67.49 -32.54 73.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.916 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 928' ' ' ALA . . . . . 0.627 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.09 -45.16 95.84 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.799 0.333 . . . . 0.0 110.63 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 25.7 m -59.39 -39.7 84.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.186 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 930' ' ' GLN . . . . . 0.428 ' HA ' ' OE1' ' A' ' 930' ' ' GLN . 15.2 mm-40 -67.79 -44.52 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.114 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 931' ' ' THR . . . . . 0.463 ' OG1' ' HB3' ' A' 1023 ' ' CYS . 21.1 m -63.43 -40.96 98.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 928' ' ' ALA . 75.9 mt -61.86 -44.77 99.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.74 0.305 . . . . 0.0 110.456 177.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.09 -45.39 93.1 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.133 0.492 . . . . 0.0 110.768 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.93 82.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.939 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.453 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -62.58 -49.98 73.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.581 -177.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 936' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' A' ' 936' ' ' GLN . 16.1 mm-40 -64.32 -28.94 70.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.738 -177.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 120.888 0.375 . . . . 0.0 111.184 179.457 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.812 HD12 ' HB2' ' A' 1003 ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.411 0.148 . . . . 0.0 111.149 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.75 -56.81 17.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.731 0.3 . . . . 0.0 111.074 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 953' ' ' VAL . . . . . 0.534 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 48.5 t -63.6 -38.55 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.229 -176.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -63.1 -50.16 71.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.51 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 17.6 m -69.5 -39.11 77.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.462 -177.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 956' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 17.2 p -63.16 -29.58 70.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.492 0.187 . . . . 0.0 111.05 -175.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 957' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 961' ' ' GLU . 54.8 mtmt -69.64 -42.98 73.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.753 0.311 . . . . 0.0 110.472 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.0 97.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.167 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 963' ' ' ILE . 94.9 t -64.87 -42.02 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.17 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.57 -23.85 64.98 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 961' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 66.0 mt-10 -82.96 -23.98 33.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.908 0.385 . . . . 0.0 110.631 178.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 962' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -91.42 -23.6 19.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.453 -173.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.704 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 70.9 mt -56.59 -54.42 53.77 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.704 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 23.9 Cg_exo -64.78 -26.48 60.19 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 121.907 1.738 . . . . 0.0 111.948 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 68.0 mt -70.0 -43.39 71.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.665 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.646 ' O ' HG23 ' A' ' 970' ' ' VAL . 83.8 mt -54.23 -58.62 6.67 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.348 175.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.57 -32.43 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.141 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -60.82 -45.71 93.39 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.19 -46.51 90.77 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.996 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 966' ' ' LEU . 41.8 t -54.94 -61.79 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.537 178.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.1 -31.39 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.587 -177.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -72.38 -39.35 57.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.226 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 28.5 m -69.58 -31.49 69.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.925 0.393 . . . . 0.0 110.533 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 84.0 mt-30 -64.56 -46.34 83.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.335 174.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.87 71.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.404 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 976' ' ' GLN . . . . . 0.455 ' HB3' ' HB2' ' A' ' 979' ' ' SER . 48.8 mt-30 -123.71 84.03 53.86 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.981 -178.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -78.54 -15.64 13.74 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.904 2.403 . . . . 0.0 112.301 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -98.43 -37.19 9.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.455 ' HB2' ' HB3' ' A' ' 976' ' ' GLN . 18.3 m -68.3 114.77 23.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 -176.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -57.51 -32.87 95.41 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.4 2.733 . . . . 0.0 113.436 -175.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 10.0 t -65.42 -29.28 69.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.755 0.312 . . . . 0.0 110.418 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -71.11 -43.81 66.9 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 983' ' ' GLN . . . . . 0.451 ' HG3' HG11 ' A' ' 914' ' ' VAL . 2.0 mp0 -59.63 -49.68 76.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.117 175.087 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.06 -30.89 69.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.011 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -64.07 -49.79 70.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.622 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 986' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 917' ' ' LEU . 0.6 OUTLIER -62.97 -49.37 74.98 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.004 0.43 . . . . 0.0 110.092 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 987' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 983' ' ' GLN . 72.5 mt -60.23 -51.36 73.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.415 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.11 96.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.345 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.97 89.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.719 0.295 . . . . 0.0 110.844 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.524 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 45.9 m -60.28 -50.21 74.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.691 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 991' ' ' GLN . . . . . 0.479 ' HA ' HD12 ' A' ' 994' ' ' LEU . 95.7 mt-30 -65.08 -41.13 95.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.136 0.493 . . . . 0.0 110.647 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 35.9 t -67.91 -13.56 62.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.025 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.627 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 80.3 t80 -96.23 -33.77 11.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.775 0.321 . . . . 0.0 110.59 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 990' ' ' SER . 94.5 mt -56.11 -51.01 69.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.022 -177.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.486 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 9.4 tp-100 -62.47 -56.34 31.14 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -174.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.486 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 55.5 Cg_endo -71.74 -33.91 9.68 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.725 1.617 . . . . 0.0 112.266 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.48 ' O ' HG23 ' A' 1001 ' ' VAL . . . -64.2 -40.49 98.05 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.787 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.49 -32.55 81.56 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.174 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.06 -32.55 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.942 -0.152 . . . . 0.0 110.817 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 46.5 ttp -76.83 -31.49 56.92 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 997' ' ' GLY . 59.6 t -63.83 -48.52 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.66 172.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.892 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1003 ' ' ALA . . . . . 0.812 ' HB2' HD12 ' A' ' 951' ' ' LEU . . . -61.62 -41.7 97.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.622 ' O ' HG23 ' A' 1008 ' ' VAL . . . -65.39 -46.54 79.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.684 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1005 ' ' LYS . . . . . 0.477 ' HE3' HG12 ' A' 1001 ' ' VAL . 98.6 mttt -60.56 -27.82 67.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.343 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -88.25 -24.78 23.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.715 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1007 ' ' SER . . . . . 0.454 ' O ' HG13 ' A' 1011 ' ' ILE . 7.0 p -87.77 -31.53 19.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -177.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' 1004 ' ' ALA . 69.4 t -49.97 -54.64 30.72 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1009 ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' 1008 ' ' VAL . 43.3 Cg_endo -68.4 -21.32 40.98 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.79 1.66 . . . . 0.0 113.031 -178.091 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 47.0 p -88.27 -18.7 28.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.701 0.286 . . . . 0.0 111.414 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1011 ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' 1007 ' ' SER . 85.6 mt -90.69 119.8 38.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.073 0.463 . . . . 0.0 110.278 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -80.64 -15.87 55.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.131 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -78.45 107.84 11.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -67.71 -31.91 72.18 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.414 -173.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.6 93.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.038 0.447 . . . . 0.0 110.966 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 15.0 m -72.8 -46.31 53.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.56 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.72 -46.64 88.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.959 -176.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 90.1 mmm -70.1 -34.31 72.97 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.233 -0.187 . . . . 0.0 111.313 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -68.82 -38.26 79.74 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.505 -0.478 . . . . 0.0 109.776 177.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1020 ' ' LEU . . . . . 0.453 HD21 ' HA ' ' A' ' 935' ' ' ALA . 16.9 mt -61.42 -46.25 90.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.401 172.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 46.0 t -55.93 -45.16 78.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.577 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -60.59 -53.06 62.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.922 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1023 ' ' CYS . . . . . 0.463 ' HB3' ' OG1' ' A' ' 931' ' ' THR . 64.5 m -61.72 -48.98 78.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.135 -177.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.09 -29.04 70.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.872 0.367 . . . . 0.0 111.182 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -69.42 -52.4 27.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.23 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -67.33 -42.66 83.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.946 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1027 ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' 1031 ' ' LEU . 51.7 tp -62.21 -41.69 98.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.703 0.287 . . . . 0.0 110.418 178.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.08 -47.49 90.53 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.082 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 8.1 m -69.86 -33.48 72.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.843 0.354 . . . . 0.0 110.734 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -63.53 -40.45 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.865 0.364 . . . . 0.0 110.061 177.192 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1031 ' ' LEU . . . . . 0.452 HD22 HD23 ' A' ' 994' ' ' LEU . 94.8 mt -65.57 -36.62 84.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.068 174.416 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.76 92.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.353 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -82.2 -16.46 49.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.213 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 52.2 tp -83.14 -47.78 11.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.893 0.378 . . . . 0.0 110.555 177.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1035 ' ' ARG . . . . . 0.469 ' HA ' HD11 ' A' ' 994' ' ' LEU . 38.4 ttp180 -55.19 -52.75 62.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.184 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1036 ' ' THR . . . . . 0.48 ' O ' ' HG2' ' A' 1040 ' ' LYS . 7.0 m -62.94 -36.43 83.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.72 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1037 ' ' ALA . . . . . 0.525 ' HB1' ' HG3' ' A' ' 916' ' ' ARG . . . -67.61 -44.38 78.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.178 -178.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.8 76.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.58 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -62.43 -44.71 95.77 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.801 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1040 ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' 1036 ' ' THR . 72.4 mmtt -60.29 -47.39 86.24 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.795 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1041 ' ' ALA . . . . . 0.587 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -62.89 -22.77 66.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.191 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.333 -178.623 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.693 HD23 HH11 ' A' ' 916' ' ' ARG . 85.8 mt . . . . . 0 CA--C 1.523 -0.09 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 914' ' ' VAL . . . . . 0.449 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 13.5 m -78.76 -24.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.941 -178.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -49.35 37.46 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 916' ' ' ARG . . . . . 0.693 HH11 HD23 ' A' ' 913' ' ' LEU . 8.4 ptp85 -62.26 -29.11 70.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.167 175.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 917' ' ' LEU . . . . . 0.675 HD22 HD22 ' A' ' 986' ' ' LEU . 0.9 OUTLIER -66.49 -51.75 53.43 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.398 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.552 ' HB3' ' HE3' ' A' ' 922' ' ' LYS . 54.1 mt-10 -51.11 -49.7 60.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.734 176.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -56.26 -37.71 70.15 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.144 -177.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -80.52 -37.46 31.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.161 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.55 -42.31 92.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.446 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 922' ' ' LYS . . . . . 0.552 ' HE3' ' HB3' ' A' ' 918' ' ' GLU . 80.8 mttt -60.94 -47.67 85.33 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.51 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -71.16 -32.07 68.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.021 -176.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.38 -46.98 77.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.935 0.398 . . . . 0.0 110.014 176.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 925' ' ' ALA . . . . . 0.4 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.4 -43.82 92.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.62 177.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.85 -52.72 48.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.312 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 6.3 t -62.35 -38.0 87.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.978 -175.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 928' ' ' ALA . . . . . 0.548 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -60.84 -42.78 98.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.703 177.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 29.4 m -62.3 -37.09 84.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.539 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 930' ' ' GLN . . . . . 0.412 ' HA ' ' OE1' ' A' ' 930' ' ' GLN . 9.0 mm-40 -70.48 -38.24 74.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.357 178.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 931' ' ' THR . . . . . 0.417 HG23 ' SG ' ' A' 1023 ' ' CYS . 26.8 m -65.12 -41.68 94.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.258 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.736 HG23 ' SG ' ' A' ' 956' ' ' CYS . 73.8 mt -57.84 -48.57 83.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.595 176.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -55.71 -49.12 73.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.045 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.55 94.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.96 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.69 94.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.764 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 936' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 92.0 mt-30 -70.3 -29.47 66.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.67 -177.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 46.5 m80 . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -177.702 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.272 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 952' ' ' LEU . . . . . 0.449 ' HA ' ' HB1' ' A' 1003 ' ' ALA . 59.2 tp -63.97 -45.92 86.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.334 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.77 -44.87 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -58.96 -51.09 71.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 18.1 p -66.11 -36.6 83.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.73 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 956' ' ' CYS . . . . . 0.736 ' SG ' HG23 ' A' ' 932' ' ' ILE . 38.6 t -55.61 -48.71 74.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 176.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 957' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' A' ' 961' ' ' GLU . 99.1 mttt -71.49 -40.48 70.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.763 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -56.14 -48.33 76.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 963' ' ' ILE . 78.8 t -64.08 -41.74 93.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -58.24 -27.26 63.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.694 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 961' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 14.8 mm-40 -83.25 -26.47 30.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.131 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 962' ' ' GLN . . . . . 0.736 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 85.7 mm-40 -88.06 -26.49 22.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.331 -175.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.601 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 81.9 mt -52.67 -51.41 73.82 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.601 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 32.3 Cg_exo -57.89 -30.37 89.39 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.127 1.885 . . . . 0.0 112.591 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 67.8 mt -68.3 -38.79 82.0 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.544 0.211 . . . . 0.0 110.768 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.608 ' O ' HG23 ' A' ' 970' ' ' VAL . 82.2 mt -57.24 -60.82 3.05 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.064 0.459 . . . . 0.0 110.085 175.221 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 967' ' ' VAL . . . . . 0.65 ' O ' ' HG2' ' A' ' 971' ' ' ARG . 93.7 t -58.97 -41.2 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.308 -176.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.62 -41.58 86.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.018 0.437 . . . . 0.0 110.078 176.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -65.96 -43.99 92.56 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.76 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 966' ' ' LEU . 46.6 t -56.8 -60.12 2.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.831 0.348 . . . . 0.0 110.619 178.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 971' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 967' ' ' VAL . 10.8 ptp180 -63.85 -33.55 75.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.179 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -66.59 -38.51 93.37 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.137 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 92.6 p -74.1 -20.34 60.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.69 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 88.9 mt-30 -84.67 -31.83 23.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.476 176.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -66.16 -52.68 45.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.618 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -124.79 77.28 65.2 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.801 177.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -73.93 -14.42 23.88 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.413 2.075 . . . . 0.0 111.363 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.57 -16.53 61.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.962 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 45.7 t -102.68 117.56 60.51 Favored Pre-proline 0 N--CA 1.448 -0.563 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.409 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.474 ' O ' ' HG3' ' A' ' 983' ' ' GLN . 28.3 Cg_endo -64.27 -32.59 61.77 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.397 2.065 . . . . 0.0 112.123 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 6.3 p -68.28 -23.45 64.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.83 0.348 . . . . 0.0 110.901 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -73.73 -39.15 64.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.572 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 983' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 980' ' ' PRO . 0.9 OUTLIER -77.33 -28.79 53.27 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.463 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 984' ' ' LEU . . . . . 0.569 HD13 HD12 ' A' ' 987' ' ' ILE . 2.6 mm? -65.66 -33.68 76.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.058 173.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.85 -30.3 71.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.461 175.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 986' ' ' LEU . . . . . 0.675 HD22 HD22 ' A' ' 917' ' ' LEU . 0.5 OUTLIER -68.78 -49.57 57.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.496 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 987' ' ' ILE . . . . . 0.569 HD12 HD13 ' A' ' 984' ' ' LEU . 68.0 mt -57.77 -49.49 80.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.079 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -56.37 -48.2 77.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.073 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.05 96.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.052 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.599 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 46.1 m -59.97 -50.02 75.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 991' ' ' GLN . . . . . 0.732 ' HA ' HD12 ' A' ' 994' ' ' LEU . 76.5 mt-30 -69.04 -30.57 68.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 26.7 t -68.54 -26.8 65.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.197 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.548 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 88.5 t80 -86.57 -33.92 20.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.862 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 991' ' ' GLN . 89.8 mt -55.05 -42.09 72.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.613 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.819 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 49.0 tt0 -59.13 -62.13 6.45 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.994 -177.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.819 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 14.2 Cg_exo -70.23 -35.28 11.54 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.945 1.763 . . . . 0.0 111.978 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.66 -46.16 94.99 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.147 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -63.97 -29.24 74.29 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.24 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -73.58 -32.58 64.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.522 0.201 . . . . 0.0 111.009 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1000 ' ' MET . . . . . 0.454 ' SD ' ' HA ' ' A' ' 956' ' ' CYS . 50.9 ttp -73.9 -30.21 62.48 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 997' ' ' GLY . 54.7 t -62.25 -46.9 95.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 173.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -63.92 -44.53 92.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.654 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1003 ' ' ALA . . . . . 0.449 ' HB1' ' HA ' ' A' ' 952' ' ' LEU . . . -61.52 -44.83 96.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.145 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.22 -48.22 82.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.944 0.402 . . . . 0.0 110.633 178.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -61.55 -33.47 73.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.153 178.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -79.92 -7.59 58.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.25 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1007 ' ' SER . . . . . 0.653 ' O ' HG13 ' A' 1011 ' ' ILE . 21.4 m -97.94 -25.74 14.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.063 0.459 . . . . 0.0 110.121 178.242 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.705 HG13 ' HB1' ' A' 1017 ' ' ALA . 82.2 t -51.56 -54.29 40.87 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.897 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1009 ' ' PRO . . . . . 0.475 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 81.9 Cg_endo -76.75 -8.71 18.16 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 121.925 1.75 . . . . 0.0 113.942 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 16.0 p -99.62 -18.96 17.07 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.706 -177.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1011 ' ' ILE . . . . . 0.653 HG13 ' O ' ' A' 1007 ' ' SER . 76.7 mt -66.54 -32.04 56.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 120.941 0.401 . . . . 0.0 111.306 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 15.4 mm100 60.57 29.12 18.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1013 ' ' ASP . . . . . 0.507 ' HB3' HG22 ' A' 1011 ' ' ILE . 27.5 t70 -138.5 109.28 6.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.252 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -52.4 -45.26 65.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.039 -175.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.91 -55.18 38.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.514 -177.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1016 ' ' SER . . . . . 0.501 ' HB2' HG21 ' A' 1011 ' ' ILE . 15.3 m -65.9 -35.65 81.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.889 0.376 . . . . 0.0 110.805 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.705 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -63.69 -47.45 81.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.091 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 24.8 mmt -67.01 -30.09 70.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -63.36 -48.74 76.7 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1020 ' ' LEU . . . . . 0.614 ' HA ' ' SG ' ' A' 1023 ' ' CYS . 13.9 mt -63.62 -39.88 95.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.147 177.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 42.4 t -59.24 -41.65 89.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.468 177.384 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -66.17 -48.95 69.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.365 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1023 ' ' CYS . . . . . 0.614 ' SG ' ' HA ' ' A' 1020 ' ' LEU . 25.8 p -66.01 -38.86 89.53 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.881 -177.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.41 72.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.933 0.397 . . . . 0.0 110.627 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -65.89 -49.94 66.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.909 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.16 -50.13 73.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.684 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.79 -38.46 88.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.811 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.71 -47.37 90.61 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.528 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.4 m -73.66 -33.25 64.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.911 0.386 . . . . 0.0 110.759 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.69 96.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.181 177.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1031 ' ' LEU . . . . . 0.476 HD22 HD23 ' A' ' 994' ' ' LEU . 96.1 mt -68.51 -33.93 75.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.605 176.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.3 -57.52 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.835 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.83 -20.08 50.51 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.979 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 67.7 tp -66.11 -48.1 71.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.292 0.568 . . . . 0.0 109.575 174.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -65.39 -23.53 66.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.543 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 39.6 m -83.61 -50.28 8.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.075 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -62.95 -47.06 84.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.443 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1038 ' ' ALA . . . . . 0.421 ' HB1' HG23 ' A' ' 987' ' ' ILE . . . -62.96 -34.7 78.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.589 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -65.97 -50.32 64.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.261 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -61.45 -35.14 76.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.42 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1041 ' ' ALA . . . . . 0.495 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -72.56 -33.47 66.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.362 -177.965 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.825 0.345 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 914' ' ' VAL . . . . . 0.465 HG11 ' HG2' ' A' ' 983' ' ' GLN . 35.5 m -69.16 -27.18 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -62.58 -36.16 81.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.675 0.274 . . . . 0.0 110.661 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -67.29 -41.55 85.25 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 917' ' ' LEU . . . . . 0.444 ' CB ' HD13 ' A' ' 986' ' ' LEU . 73.6 mt -60.35 -49.25 78.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.566 177.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -55.91 -52.35 64.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.084 0.469 . . . . 0.0 110.174 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -55.02 -51.0 67.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.173 -178.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -71.0 -42.49 69.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.61 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.57 96.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -177.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -65.04 -41.62 95.02 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.101 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -79.24 -27.73 42.43 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.709 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.22 -47.96 66.45 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.32 80.66 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.591 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -66.14 -57.12 8.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.888 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 69.4 m -59.53 -36.31 75.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.472 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 928' ' ' ALA . . . . . 0.48 ' HB1' HG11 ' A' ' 959' ' ' VAL . . . -61.15 -52.21 65.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.805 178.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 17.7 m -60.17 -38.99 84.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.458 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -65.12 -41.43 94.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.054 177.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 28.2 m -67.2 -35.31 79.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.527 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.573 HG23 ' HB3' ' A' ' 956' ' ' CYS . 91.6 mt -61.82 -48.77 87.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.99 0.424 . . . . 0.0 110.197 175.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.54 95.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.582 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -66.15 -45.54 80.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.965 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.62 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -60.23 -34.06 73.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.394 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -97.38 9.12 43.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.628 -177.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 . . . . . 0 N--CA 1.463 0.224 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.183 178.967 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.655 HD12 ' HB2' ' A' 1003 ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.297 0 CA-C-O 120.715 0.293 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 83.4 mt -53.04 -69.48 0.11 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.445 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 953' ' ' VAL . . . . . 0.531 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 21.0 m -59.23 -36.53 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -174.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -61.38 -41.28 96.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.848 0.356 . . . . 0.0 110.504 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 955' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 959' ' ' VAL . 19.7 m -75.09 -41.04 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.376 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 956' ' ' CYS . . . . . 0.573 ' HB3' HG23 ' A' ' 932' ' ' ILE . 88.4 m -53.73 -46.28 70.79 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.398 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 957' ' ' LYS . . . . . 0.577 ' O ' ' HG2' ' A' ' 961' ' ' GLU . 8.6 mtmp? -62.63 -44.71 95.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.568 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.5 99.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.627 ' O ' HG13 ' A' ' 963' ' ' ILE . 93.1 t -63.73 -47.2 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.341 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 960' ' ' ALA . . . . . 0.422 ' HA ' HD12 ' A' ' 963' ' ' ILE . . . -59.35 -27.42 65.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.87 -177.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 961' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 22.6 mm-40 -73.44 -34.17 65.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 111.108 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 962' ' ' GLN . . . . . 0.43 ' HA ' ' OE1' ' A' ' 962' ' ' GLN . 14.3 mm-40 -90.67 -20.84 22.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.097 -173.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' ' 959' ' ' VAL . 85.1 mt -55.35 -55.3 41.3 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 16.1 Cg_endo -58.46 -30.57 91.95 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.386 2.058 . . . . 0.0 112.517 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 78.2 mt -77.48 -37.09 52.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.0 0.429 . . . . 0.0 110.386 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.541 ' O ' HG23 ' A' ' 970' ' ' VAL . 46.4 tp -62.61 -50.63 70.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.649 176.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 967' ' ' VAL . . . . . 0.449 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 98.5 t -64.61 -34.25 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.838 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 968' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 968' ' ' GLN . 6.8 tp60 -61.11 -45.53 94.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 176.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -58.27 -40.42 93.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.564 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 966' ' ' LEU . 60.1 t -61.61 -45.49 98.55 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-O 120.63 0.252 . . . . 0.0 110.505 176.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 971' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 967' ' ' VAL . 19.3 mtp180 -56.74 -50.17 73.03 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.327 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -61.55 -32.73 82.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.005 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 50.4 m -78.5 -33.35 48.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.702 0.287 . . . . 0.0 111.183 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 56.7 mt-30 -63.3 -32.63 74.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.128 0.49 . . . . 0.0 109.941 174.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -81.45 -53.05 6.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.628 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -124.88 90.32 51.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.169 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.45 -25.39 13.12 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 122.55 2.167 . . . . 0.0 112.162 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -87.39 -5.01 59.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.545 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 33.4 t -75.07 122.0 86.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.078 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.43 -34.91 97.3 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.032 2.488 . . . . 0.0 111.672 174.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 13.1 t -67.42 -41.88 84.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.226 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -68.96 -44.66 72.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.644 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 983' ' ' GLN . . . . . 0.465 ' HG2' HG11 ' A' ' 914' ' ' VAL . 60.4 mt-30 -56.08 -51.55 67.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.436 175.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.75 -40.53 92.8 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.764 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -57.96 -49.22 77.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 986' ' ' LEU . . . . . 0.444 HD13 ' CB ' ' A' ' 917' ' ' LEU . 19.6 mt -56.22 -58.34 8.36 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.006 176.572 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 987' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' 1042 ' ' GLN . 61.7 mt -57.12 -46.6 84.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.566 -175.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -67.64 -48.76 65.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.275 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.87 -34.04 75.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.95 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.688 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 69.3 m -61.65 -49.27 77.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.622 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 991' ' ' GLN . . . . . 0.59 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.7 mt-30 -66.12 -37.04 84.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.049 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 50.7 m -75.88 -5.96 48.53 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.943 0.402 . . . . 0.0 111.214 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -102.4 -33.51 9.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.02 0.438 . . . . 0.0 110.012 177.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 990' ' ' SER . 73.3 mt -58.34 -42.97 88.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.398 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.827 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 7.6 tp60 -62.19 -59.27 13.52 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.553 -177.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.827 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 37.1 Cg_exo -61.37 -38.83 61.5 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.944 1.763 . . . . 0.0 111.958 177.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.65 -49.39 79.14 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.961 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.27 -34.81 86.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.207 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 999' ' ' LYS . . . . . 0.461 ' HE2' ' HG3' ' A' ' 995' ' ' GLN . 67.8 mttm -60.19 -44.15 95.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.316 . . . . 0.0 110.695 176.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 49.3 ttp -74.69 -31.7 61.97 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.52 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 997' ' ' GLY . 96.6 t -60.71 -49.18 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.1 85.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.704 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1003 ' ' ALA . . . . . 0.655 ' HB2' HD12 ' A' ' 951' ' ' LEU . . . -59.06 -45.05 91.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.185 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.65 -51.27 70.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.725 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.18 -32.92 71.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.415 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -78.88 -23.76 44.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1007 ' ' SER . . . . . 0.515 ' O ' HG13 ' A' 1011 ' ' ILE . 23.1 t -86.54 -27.78 23.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.974 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' 1004 ' ' ALA . 69.7 t -47.47 -52.07 39.38 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.55 -14.36 27.59 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 121.761 1.64 . . . . 0.0 113.206 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 34.2 p -97.76 4.09 49.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.837 0.351 . . . . 0.0 111.698 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1011 ' ' ILE . . . . . 0.574 HD11 HD12 ' A' 1020 ' ' LEU . 67.8 mt -88.87 132.1 34.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.848 0.356 . . . . 0.0 110.085 177.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -64.64 -31.69 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.573 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1013 ' ' ASP . . . . . 0.458 ' H ' HG22 ' A' 1011 ' ' ILE . 26.7 t70 -102.14 124.82 48.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.96 0.409 . . . . 0.0 110.768 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.62 -38.28 86.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.78 -176.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.16 82.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.63 0.252 . . . . 0.0 111.209 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1016 ' ' SER . . . . . 0.568 ' O ' ' HB3' ' A' 1019 ' ' GLN . 6.8 p -69.62 -25.92 64.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.824 0.345 . . . . 0.0 110.941 177.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.564 ' HA ' HD12 ' A' 1011 ' ' ILE . . . -66.54 -41.32 88.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.294 0.569 . . . . 0.0 110.403 174.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 93.7 mmm -70.92 -19.9 62.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.624 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1019 ' ' GLN . . . . . 0.568 ' HB3' ' O ' ' A' 1016 ' ' SER . 7.4 tt0 -63.09 -49.04 76.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.059 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1020 ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' ' 935' ' ' ALA . 15.4 mt -64.76 -40.44 95.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.684 176.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 20.1 m -58.29 -43.78 88.2 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.968 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.7 -47.21 79.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.052 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 65.6 m -64.83 -44.57 89.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.098 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.39 -29.08 70.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.987 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -68.9 -47.71 65.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.977 0.417 . . . . 0.0 110.258 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -67.62 -44.04 78.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.794 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.36 -42.67 96.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.405 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.62 98.76 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.359 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 18.1 m -75.06 -31.57 61.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.003 0.43 . . . . 0.0 110.472 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -63.35 -47.05 83.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.086 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1031 ' ' LEU . . . . . 0.448 HD22 HD23 ' A' ' 994' ' ' LEU . 96.6 mt -65.05 -34.84 79.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.338 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.04 -47.38 81.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.748 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -63.4 -54.61 34.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.99 0.424 . . . . 0.0 110.471 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1034 ' ' LEU . . . . . 0.448 ' HG ' ' HB3' ' A' ' 990' ' ' SER . 22.9 tp -55.54 -47.71 75.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.575 -174.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -63.76 -43.36 96.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.056 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 26.9 m -69.76 -41.22 75.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.794 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -65.11 -44.85 87.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.952 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -66.5 -31.93 72.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.85 -46.09 89.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.969 0.414 . . . . 0.0 110.054 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.48 -45.08 76.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.963 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -70.2 -30.23 67.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.011 -175.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1042 ' ' GLN . . . . . 0.412 ' HA ' HD13 ' A' ' 987' ' ' ILE . 44.9 tt0 . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 121.111 0.481 . . . . 0.0 111.044 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' A' 1041 ' ' ALA . 92.1 mt . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.912 0.387 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 914' ' ' VAL . . . . . 0.468 HG11 ' HG2' ' A' ' 983' ' ' GLN . 29.1 m -74.46 -33.61 33.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.329 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -63.52 -36.01 82.37 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.153 0.501 . . . . 0.0 109.972 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -61.28 -48.57 80.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.603 174.084 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 917' ' ' LEU . . . . . 0.429 ' CB ' HD13 ' A' ' 986' ' ' LEU . 83.5 mt -57.79 -47.37 82.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.694 177.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 52.4 mt-10 -50.88 -58.54 5.74 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.515 0.509 . . . . 0.0 110.95 177.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -66.89 -41.13 87.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.638 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -68.59 -44.67 73.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.31 -177.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -61.94 -33.65 74.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.372 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 922' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 97.4 mttt -60.11 -51.54 69.17 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.779 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -78.69 -29.68 45.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.107 -177.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.23 85.4 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.87 88.49 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.547 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -69.57 -51.8 32.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.045 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 23.3 t -61.54 -35.25 77.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.789 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 928' ' ' ALA . . . . . 0.596 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -59.84 -46.3 89.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 175.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 57.1 m -58.28 -40.85 83.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.586 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -65.61 -44.42 86.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.717 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 12.2 m -65.94 -42.09 90.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.716 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 928' ' ' ALA . 70.8 mt -63.22 -42.97 98.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.259 177.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -58.41 -43.23 88.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.485 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.8 81.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.704 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.21 97.44 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -176.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -64.42 -28.69 69.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.932 0.396 . . . . 0.0 110.823 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 74.7 m80 . . . . . 0 C--N 1.326 -0.448 0 CA-C-O 121.049 0.452 . . . . 0.0 110.356 178.675 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.662 ' HG ' ' HB2' ' A' 1003 ' ' ALA . 11.8 tp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 952' ' ' LEU . . . . . 0.592 HD21 ' HA ' ' A' 1004 ' ' ALA . 81.6 mt -49.19 -65.48 0.56 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.437 176.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 953' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 42.6 t -52.14 -39.75 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.489 -177.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -53.48 57.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 955' ' ' SER . . . . . 0.481 ' O ' HG23 ' A' ' 959' ' ' VAL . 35.7 m -69.77 -36.37 75.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.26 -177.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 98.2 m -58.76 -35.44 72.76 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.605 0.24 . . . . 0.0 111.159 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 957' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 68.1 mttm -62.56 -47.13 85.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.771 177.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.52 -46.16 73.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.005 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 963' ' ' ILE . 93.8 t -61.05 -43.69 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.327 -178.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -61.72 -26.34 67.99 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -80.39 -25.92 38.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 110.564 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 962' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -86.61 -26.03 24.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.471 -176.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 959' ' ' VAL . 77.0 mt -53.4 -55.7 31.98 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 21.5 Cg_endo -61.86 -28.91 81.89 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 122.053 1.835 . . . . 0.0 112.209 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 68.5 mt -69.32 -40.38 77.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 970' ' ' VAL . 78.8 mt -56.57 -59.0 5.64 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.121 0.486 . . . . 0.0 110.06 174.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 967' ' ' VAL . . . . . 0.598 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 57.3 t -61.6 -35.72 68.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.37 -176.083 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.49 -42.85 88.5 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.103 0.478 . . . . 0.0 109.83 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -67.47 -38.4 90.78 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.97 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 966' ' ' LEU . 41.2 t -62.18 -38.55 81.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 120.938 0.399 . . . . 0.0 110.881 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 971' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' A' ' 967' ' ' VAL . 23.1 mtm180 -64.94 -34.17 77.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.689 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -77.28 -43.15 16.97 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.29 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 2.8 p -66.01 -36.98 84.75 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.24 -21.39 66.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.687 0.279 . . . . 0.0 111.245 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -92.61 -52.03 4.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.04 0.448 . . . . 0.0 110.514 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -130.87 94.91 27.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.63 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.35 -4.35 14.16 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.273 1.982 . . . . 0.0 112.129 176.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.41 -1.69 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.725 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 980' ' ' PRO . 49.8 p -92.71 128.73 42.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.378 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 979' ' ' SER . 34.0 Cg_exo -57.65 -32.77 95.41 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.572 2.182 . . . . 0.0 111.935 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 18.5 m -60.94 -47.78 84.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.862 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -70.96 -37.0 72.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.816 0.341 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 983' ' ' GLN . . . . . 0.468 ' HG2' HG11 ' A' ' 914' ' ' VAL . 59.9 mt-30 -61.1 -55.42 32.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.5 177.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 984' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 984' ' ' LEU . 4.4 mm? -63.97 -31.38 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.033 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.56 83.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.844 0.355 . . . . 0.0 110.43 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 986' ' ' LEU . . . . . 0.429 HD13 ' CB ' ' A' ' 917' ' ' LEU . 35.4 mt -75.27 -57.03 4.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 175.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 987' ' ' ILE . . . . . . . . . . . . . 86.8 mt -52.14 -52.62 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.139 -174.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.64 75.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.171 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.55 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.246 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.679 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 48.8 m -64.5 -43.75 93.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 991' ' ' GLN . . . . . 0.475 ' HA ' HD12 ' A' ' 994' ' ' LEU . 77.7 mt-30 -65.85 -39.08 90.44 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.068 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 45.0 p -76.84 -5.95 50.39 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.831 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.596 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 89.5 t80 -99.85 -38.67 8.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.153 177.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.679 ' HG ' ' O ' ' A' ' 990' ' ' SER . 81.2 mt -54.34 -48.45 71.4 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.724 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.515 ' HG2' ' HE2' ' A' ' 999' ' ' LYS . 32.9 tt0 -63.14 -60.25 10.11 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.162 -174.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.408 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 35.8 Cg_endo -64.91 -32.42 54.85 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 121.721 1.614 . . . . 0.0 112.086 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.25 -47.51 89.21 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 177.002 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.87 -35.77 92.47 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.031 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 999' ' ' LYS . . . . . 0.515 ' HE2' ' HG2' ' A' ' 995' ' ' GLN . 68.7 mttm -58.21 -45.47 87.6 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 174.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 46.7 ttp -70.91 -30.55 66.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.972 -177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 997' ' ' GLY . 94.4 t -62.16 -46.05 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.217 0.532 . . . . 0.0 109.782 173.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.51 86.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.35 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1003 ' ' ALA . . . . . 0.662 ' HB2' ' HG ' ' A' ' 951' ' ' LEU . . . -57.98 -45.93 85.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.015 177.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.592 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -56.2 -56.71 17.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.989 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -60.88 -35.69 77.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.931 -177.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -78.6 -18.0 55.23 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -176.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 36.1 m -94.03 -24.61 17.55 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.241 -0.184 . . . . 0.0 111.325 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.692 HG13 ' HB1' ' A' 1017 ' ' ALA . 70.3 t -49.19 -51.82 53.55 Favored Pre-proline 0 CA--C 1.543 0.694 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1009 ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' 1008 ' ' VAL . 18.8 Cg_endo -58.83 -21.23 56.01 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.385 2.057 . . . . 0.0 113.834 -176.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 31.6 p -90.45 -5.8 55.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.041 0.448 . . . . 0.0 111.03 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1011 ' ' ILE . . . . . . . . . . . . . 51.9 mt -96.13 121.89 47.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.784 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1012 ' ' GLN . . . . . 0.437 ' HA ' ' OE1' ' A' 1012 ' ' GLN . 7.8 mm-40 -84.87 -23.11 29.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.96 0.41 . . . . 0.0 110.301 -176.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -72.59 113.61 9.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.834 174.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.504 ' O ' ' HG3' ' A' 1018 ' ' MET . 43.1 mt-30 -60.62 -49.36 77.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.3 -175.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -55.71 -52.7 62.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.121 -174.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 15.8 m -65.93 -37.07 85.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.654 0.264 . . . . 0.0 111.123 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.692 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -65.31 -44.27 88.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 110.779 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1018 ' ' MET . . . . . 0.504 ' HG3' ' O ' ' A' 1014 ' ' GLN . 66.4 mtt -63.84 -47.66 79.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.467 178.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -60.7 -44.53 96.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.753 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 62.3 tp -56.9 -47.86 79.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.014 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 47.5 t -67.5 -38.1 83.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.841 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1022 ' ' GLN . . . . . 0.414 ' OE1' ' HA ' ' A' 1022 ' ' GLN . 6.8 tp60 -66.13 -49.42 67.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 -177.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 72.5 m -62.18 -38.12 87.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.792 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.59 86.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -64.82 -40.48 95.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 110.645 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -64.81 -47.18 78.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.176 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1027 ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' A' 1031 ' ' LEU . 57.2 tp -61.57 -44.92 96.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.846 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.0 -39.51 94.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.539 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.7 m -77.27 -32.5 55.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.922 0.391 . . . . 0.0 110.653 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.52 96.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.255 0.55 . . . . 0.0 110.066 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1031 ' ' LEU . . . . . 0.537 HD22 ' HA ' ' A' ' 994' ' ' LEU . 84.4 mt -65.51 -35.28 80.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.533 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.44 -48.45 71.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.456 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -81.99 -34.71 29.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.562 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.06 -42.1 99.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.008 0.432 . . . . 0.0 110.364 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1035 ' ' ARG . . . . . 0.513 ' HA ' HD11 ' A' ' 994' ' ' LEU . 44.0 ttm180 -58.96 -50.98 72.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.843 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 18.2 m -60.82 -34.38 74.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.103 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -73.0 -53.89 10.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.177 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.06 82.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.872 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -62.48 -49.82 73.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.916 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -77.31 -26.95 52.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.311 -177.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1041 ' ' ALA . . . . . 0.518 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -68.77 -25.99 64.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.025 0.44 . . . . 0.0 110.974 178.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 58.6 tt0 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.753 -178.838 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.612 HD13 ' HA ' ' A' 1041 ' ' ALA . 84.0 mt . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.698 0.285 . . . . 0.0 111.356 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 914' ' ' VAL . . . . . 0.418 HG11 ' HG2' ' A' ' 983' ' ' GLN . 27.8 m -74.44 -27.23 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.941 0.401 . . . . 0.0 111.142 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -66.63 -39.17 88.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.084 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -56.74 -46.17 81.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.735 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 917' ' ' LEU . . . . . 0.523 ' HB3' HD22 ' A' ' 986' ' ' LEU . 86.1 mt -61.11 -50.11 74.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.299 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -48.48 -52.4 22.55 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.174 0.512 . . . . 0.0 111.7 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -77.26 -39.35 48.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.584 -173.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -68.4 -40.26 81.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.583 0.23 . . . . 0.0 111.256 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.56 -40.2 88.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.489 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -65.93 -40.57 91.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.615 0.245 . . . . 0.0 111.431 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -76.78 -33.18 58.05 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.591 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.61 82.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 110.189 175.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.53 -41.84 86.41 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.448 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 926' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 930' ' ' GLN . . . -64.8 -56.0 16.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.188 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 72.2 m -58.5 -36.98 74.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.508 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 928' ' ' ALA . . . . . 0.548 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.86 -47.36 85.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 110.294 176.179 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 27.1 m -62.69 -35.85 81.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.406 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 930' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 926' ' ' ALA . 54.7 mt-30 -63.87 -43.8 95.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 176.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 5.0 m -65.88 -41.53 91.46 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.255 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.485 HG23 ' SG ' ' A' ' 956' ' ' CYS . 62.6 mt -59.24 -41.79 85.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.142 176.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -68.99 -5.42 21.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.83 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -107.96 -39.71 5.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.165 0.507 . . . . 0.0 109.807 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -60.28 -54.17 48.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.02 -177.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 936' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 11.7 pt20 -92.72 12.07 24.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.959 0.409 . . . . 0.0 111.137 -176.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 14.9 t60 . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.967 177.817 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.6 ' O ' ' HB1' ' A' 1003 ' ' ALA . 4.4 mm? . . . . . 0 C--O 1.227 -0.107 0 CA-C-O 121.251 0.548 . . . . 0.0 109.977 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 952' ' ' LEU . . . . . 0.482 HD21 ' HA ' ' A' 1004 ' ' ALA . 18.5 mt -152.6 -63.07 0.16 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.232 175.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 953' ' ' VAL . . . . . 0.474 HG12 ' NZ ' ' A' ' 957' ' ' LYS . 47.7 t -63.06 -34.56 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.638 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -64.73 -59.28 4.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.826 178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 955' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 959' ' ' VAL . 13.9 m -63.74 -28.32 69.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.794 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 956' ' ' CYS . . . . . 0.485 ' SG ' HG23 ' A' ' 932' ' ' ILE . 10.6 t -54.51 -44.51 72.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 175.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 957' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 961' ' ' GLU . 63.5 mttp -59.4 -47.41 85.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.85 99.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.976 0.417 . . . . 0.0 110.94 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 963' ' ' ILE . 91.9 t -68.14 -47.44 78.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.283 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -64.48 -21.63 66.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 961' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 53.2 mm-40 -86.86 -15.76 38.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.925 0.393 . . . . 0.0 110.909 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 962' ' ' GLN . . . . . 0.63 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 85.1 mm-40 -94.84 -23.34 17.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.665 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.5 ' N ' ' HD2' ' A' ' 964' ' ' PRO . 78.1 mt -55.58 -52.38 72.42 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.405 179.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 13.2 Cg_endo -56.86 -30.66 86.28 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.234 1.956 . . . . 0.0 112.492 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.22 -39.72 86.3 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.647 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 970' ' ' VAL . 97.1 mt -57.96 -57.58 12.19 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.163 0.506 . . . . 0.0 109.879 175.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.0 -37.6 78.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.167 -176.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.06 -43.79 98.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -61.61 -44.85 97.41 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.906 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 966' ' ' LEU . 24.5 t -56.93 -49.06 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 120.967 0.413 . . . . 0.0 110.249 177.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -60.13 -41.93 93.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.851 178.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.38 -43.72 98.36 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.351 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 23.0 t -72.73 -17.03 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 0.0 111.188 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -90.33 -37.67 13.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.69 0.281 . . . . 0.0 110.809 176.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -70.53 -36.88 73.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.176 0.512 . . . . 0.0 110.22 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -123.89 87.93 52.64 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.783 175.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.99 -25.03 66.76 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.846 2.364 . . . . 0.0 112.341 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -127.89 80.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.335 0.588 . . . . 0.0 109.447 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 39.2 t -152.29 119.45 3.15 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.997 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.54 -28.94 83.8 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.623 2.215 . . . . 0.0 111.535 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 27.9 m -64.51 -47.58 78.36 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.09 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.5 91.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.349 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 983' ' ' GLN . . . . . 0.434 ' O ' HG13 ' A' ' 987' ' ' ILE . 54.2 mt-30 -57.62 -61.94 2.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.032 177.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.64 -33.0 72.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.473 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -61.02 -49.14 78.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 110.622 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 986' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 917' ' ' LEU . 1.1 tt -66.0 -45.17 82.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.802 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 987' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 983' ' ' GLN . 87.5 mt -58.07 -51.18 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.944 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.49 93.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.026 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.91 92.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.998 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.684 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.1 m -60.44 -48.29 82.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.38 178.014 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 991' ' ' GLN . . . . . 0.687 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.2 mt-30 -66.04 -37.09 84.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 20.6 t -66.14 -27.72 68.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.464 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.548 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 83.4 t80 -83.29 -31.22 27.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.638 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 991' ' ' GLN . 94.4 mt -55.25 -44.9 75.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.6 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.843 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 7.2 tp60 -60.19 -62.43 5.94 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.827 -176.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.843 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 23.2 Cg_exo -65.04 -40.99 18.22 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.003 1.802 . . . . 0.0 112.135 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.44 -46.64 93.97 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.068 -179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.91 -35.73 90.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.446 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -69.8 -33.29 72.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.637 0.256 . . . . 0.0 110.792 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 9.8 tmm? -77.32 -25.48 51.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 997' ' ' GLY . 88.1 t -59.23 -45.46 92.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 172.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -70.02 -42.77 72.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.482 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1003 ' ' ALA . . . . . 0.6 ' HB1' ' O ' ' A' ' 951' ' ' LEU . . . -58.62 -40.84 84.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.219 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.482 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -65.56 -46.38 79.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.071 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1005 ' ' LYS . . . . . 0.512 ' HE2' HG12 ' A' 1001 ' ' VAL . 67.3 mttm -56.9 -44.78 82.71 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.96 0.409 . . . . 0.0 111.373 -179.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -69.63 -20.97 63.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.752 -176.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1007 ' ' SER . . . . . 0.421 ' O ' HG13 ' A' 1011 ' ' ILE . 19.4 m -92.02 -16.04 27.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.453 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' 1004 ' ' ALA . 97.0 t -55.74 -53.17 65.73 Favored Pre-proline 0 CA--C 1.541 0.615 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1009 ' ' PRO . . . . . 0.441 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 61.2 Cg_endo -73.59 -14.03 24.77 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.948 1.765 . . . . 0.0 113.564 -177.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 20.3 p -90.39 -21.11 22.12 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.26 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1011 ' ' ILE . . . . . 0.43 HD12 HD12 ' A' 1020 ' ' LEU . 79.8 mt -82.28 127.36 39.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -79.34 -28.04 42.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.37 107.43 3.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.146 176.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.88 -45.75 93.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.458 -174.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.85 82.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.768 0.318 . . . . 0.0 110.968 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 29.2 m -72.79 -39.36 66.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.75 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -63.09 -48.23 79.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.051 0.453 . . . . 0.0 110.589 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 26.5 mmt -62.18 -37.82 86.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.378 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.62 -41.61 97.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.62 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1020 ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' 1020 ' ' LEU . 10.5 mt -59.68 -54.28 48.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.401 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 22.1 t -62.22 -39.66 93.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.754 0.312 . . . . 0.0 110.545 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1022 ' ' GLN . . . . . 0.431 ' OE1' ' HE3' ' A' 1025 ' ' LYS . 7.7 tp60 -57.85 -48.67 79.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.604 178.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 62.4 m -72.87 -45.12 60.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.162 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.52 -43.04 93.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.972 -177.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1025 ' ' LYS . . . . . 0.431 ' HE3' ' OE1' ' A' 1022 ' ' GLN . 18.8 pttp -67.09 -35.09 79.04 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.538 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.36 -40.75 70.44 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.354 -0.385 . . . . 0.0 109.989 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1027 ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' 1031 ' ' LEU . 48.5 tp -59.64 -38.06 80.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.868 176.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.25 -47.75 89.29 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.566 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 4.3 m -71.26 -34.69 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.995 0.426 . . . . 0.0 110.472 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -59.66 -47.98 83.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.165 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1031 ' ' LEU . . . . . 0.485 HD22 HD23 ' A' ' 994' ' ' LEU . 96.7 mt -65.7 -34.57 78.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.717 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.83 -56.9 15.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.209 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.59 -29.86 59.42 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.37 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.66 -46.97 87.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.917 0.389 . . . . 0.0 109.994 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -61.88 -43.76 98.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.194 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1036 ' ' THR . . . . . 0.558 HG22 ' HE2' ' A' 1040 ' ' LYS . 27.6 m -63.78 -43.64 95.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.82 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -63.5 -48.37 77.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.051 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1038 ' ' ALA . . . . . 0.428 ' HA ' HD21 ' A' ' 917' ' ' LEU . . . -63.19 -33.38 75.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.737 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -67.97 -41.32 82.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.476 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1040 ' ' LYS . . . . . 0.558 ' HE2' HG22 ' A' 1036 ' ' THR . 68.0 mttm -65.89 -47.05 76.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.947 0.403 . . . . 0.0 110.858 178.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1041 ' ' ALA . . . . . 0.612 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -68.13 -21.29 64.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.703 -176.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.02 -176.567 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 120.865 0.364 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 914' ' ' VAL . . . . . 0.563 HG11 ' HG2' ' A' ' 983' ' ' GLN . 27.1 m -77.4 -21.06 14.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.979 177.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -57.59 -37.4 73.14 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.362 0.601 . . . . 0.0 109.85 171.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -68.56 -43.19 77.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.773 175.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 917' ' ' LEU . . . . . 0.533 HD12 HG12 ' A' ' 914' ' ' VAL . 87.1 mt -60.02 -42.13 93.7 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.324 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 94.4 mt-10 -54.49 -45.6 73.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.057 0.456 . . . . 0.0 110.93 178.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -69.47 -50.53 44.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -62.86 -40.19 96.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.6 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.36 87.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.514 0.197 . . . . 0.0 111.409 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -66.53 -40.27 89.05 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.971 -0.291 . . . . 0.0 111.163 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -75.43 -30.18 59.95 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.462 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.31 -47.07 68.56 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 175.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -59.14 -41.01 87.27 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.392 176.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.34 -56.38 16.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.946 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 46.6 m -59.13 -37.86 78.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.9 -178.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 928' ' ' ALA . . . . . 0.539 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -60.25 -51.19 70.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.46 176.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 27.1 m -58.1 -43.79 87.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.628 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 930' ' ' GLN . . . . . 0.461 ' HA ' ' OE1' ' A' ' 930' ' ' GLN . 12.4 mm-40 -64.03 -41.28 97.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.928 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 31.3 m -67.25 -37.15 83.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.775 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.503 ' O ' ' HG3' ' A' ' 936' ' ' GLN . 71.9 mt -61.43 -50.5 80.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.796 0.331 . . . . 0.0 110.27 176.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.73 87.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.878 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -67.66 -41.91 83.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.721 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.715 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -61.16 -43.62 98.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.132 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 936' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 92.3 mt-30 -61.08 -41.17 96.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.048 0.451 . . . . 0.0 110.35 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 76.0 t60 . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.171 -179.511 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.527 ' HA ' ' OE1' ' A' ' 954' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.076 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 952' ' ' LEU . . . . . 0.715 ' HB3' ' HB1' ' A' ' 935' ' ' ALA . 89.2 mt -48.07 -55.4 10.28 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.486 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 953' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 39.5 t -55.89 -38.9 54.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.773 -175.09 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 954' ' ' GLN . . . . . 0.527 ' OE1' ' HA ' ' A' ' 951' ' ' LEU . 46.7 mt-30 -55.68 -49.93 71.63 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.314 0.578 . . . . 0.0 110.382 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 955' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 959' ' ' VAL . 16.7 m -67.9 -41.58 82.47 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.741 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 70.8 m -58.38 -36.47 73.57 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.562 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 957' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 9.0 mtpm? -65.76 -39.43 91.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.773 0.32 . . . . 0.0 110.905 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -72.48 -42.73 64.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.19 0.519 . . . . 0.0 110.625 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 963' ' ' ILE . 86.4 t -59.21 -42.17 86.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.597 177.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.9 -22.28 64.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.9 -178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -75.87 -29.57 58.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 110.797 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 962' ' ' GLN . . . . . 0.441 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 85.1 mm-40 -98.7 -18.74 17.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -174.039 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 959' ' ' VAL . 73.6 mt -55.45 -55.04 44.39 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.8 Cg_endo -60.51 -29.84 89.47 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.882 1.721 . . . . 0.0 112.073 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.85 -37.8 79.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 970' ' ' VAL . 85.4 mt -59.65 -57.77 11.47 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.138 0.494 . . . . 0.0 109.868 174.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 967' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 33.4 t -63.13 -35.58 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.969 -176.014 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.36 -42.8 96.51 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -63.19 -42.32 99.42 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.759 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 966' ' ' LEU . 16.6 t -60.66 -44.08 96.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 120.981 0.42 . . . . 0.0 109.945 177.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 971' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 971' ' ' ARG . 42.6 mtm-85 -71.13 -8.48 53.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.999 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -89.44 -47.91 3.9 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 27.9 t -63.95 -37.58 87.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 110.371 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -87.8 10.15 19.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.068 0.461 . . . . 0.0 111.226 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -111.58 -44.03 3.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 172.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -132.53 85.42 48.1 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.998 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -70.08 -18.31 35.57 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.164 2.576 . . . . 0.0 112.876 -176.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -90.34 -19.14 24.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.986 0.422 . . . . 0.0 110.504 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 34.0 t -72.07 123.78 89.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.55 -19.07 37.58 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.635 2.224 . . . . 0.0 111.417 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 33.4 t -65.38 -33.59 76.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.828 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -67.23 -32.4 73.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.596 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 983' ' ' GLN . . . . . 0.563 ' HG2' HG11 ' A' ' 914' ' ' VAL . 79.9 mt-30 -60.97 -63.66 1.22 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.598 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 984' ' ' LEU . . . . . 0.402 ' HA ' HD13 ' A' ' 984' ' ' LEU . 3.9 mm? -61.44 -29.35 69.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -177.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.67 76.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.777 0.322 . . . . 0.0 110.192 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 16.5 mt -68.86 -50.05 53.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.102 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 987' ' ' ILE . . . . . 0.485 HG21 ' HG2' ' A' 1042 ' ' GLN . 81.2 mt -54.72 -53.02 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.606 -176.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.58 89.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.233 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.52 94.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.736 0.303 . . . . 0.0 110.497 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.701 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 41.5 m -64.2 -49.4 72.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.546 178.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 991' ' ' GLN . . . . . 0.62 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.4 mt-30 -60.26 -43.76 95.88 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.195 0.521 . . . . 0.0 110.828 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 17.6 t -73.01 -10.97 60.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.872 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.539 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 85.8 t80 -94.36 -31.24 14.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.913 0.387 . . . . 0.0 110.181 176.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 990' ' ' SER . 78.7 mt -56.76 -43.31 80.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.442 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.518 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 29.4 tt0 -63.05 -62.43 5.65 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.78 -177.279 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.518 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 35.5 Cg_endo -65.39 -33.98 45.47 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.751 1.634 . . . . 0.0 112.148 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.52 -47.27 90.6 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.718 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.7 -31.97 79.9 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.166 -0.54 . . . . 0.0 111.958 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.22 -33.0 74.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.635 0.255 . . . . 0.0 110.887 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 47.0 ttp -78.71 -33.25 46.94 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.09 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 997' ' ' GLY . 58.0 t -62.76 -46.74 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 174.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.85 -48.18 81.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.429 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.69 83.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.04 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' 1008 ' ' VAL . . . -62.96 -52.25 63.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.756 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.72 -27.52 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.41 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -85.96 -19.87 29.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.537 -178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1007 ' ' SER . . . . . 0.645 ' O ' HG13 ' A' 1011 ' ' ILE . 50.4 m -86.94 -25.76 24.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.661 0.267 . . . . 0.0 110.533 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.675 HG13 ' HB1' ' A' 1017 ' ' ALA . 85.0 t -52.45 -51.81 69.3 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1009 ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' 1008 ' ' VAL . 41.7 Cg_endo -67.01 -22.24 48.29 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 121.963 1.775 . . . . 0.0 112.722 -175.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 74.9 p -95.17 3.0 55.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.25 0.548 . . . . 0.0 110.683 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1011 ' ' ILE . . . . . 0.645 HG13 ' O ' ' A' 1007 ' ' SER . 77.0 mt -93.93 121.28 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 170.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -95.82 7.45 46.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.216 0.532 . . . . 0.0 110.706 -175.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1013 ' ' ASP . . . . . 0.485 ' H ' HG22 ' A' 1011 ' ' ILE . 24.0 t70 -105.45 117.98 35.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.349 170.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' 1018 ' ' MET . 6.2 tp-100 -57.85 -46.63 84.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.752 -174.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -63.67 -44.48 93.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.86 -175.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 19.6 m -65.17 -39.54 93.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.863 0.363 . . . . 0.0 110.766 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.675 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -65.85 -40.44 91.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.251 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1018 ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' 1014 ' ' GLN . 83.1 mtp -67.66 -28.88 68.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -64.68 -42.97 94.98 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1020 ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 935' ' ' ALA . 13.8 mt -64.02 -47.29 80.84 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 176.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 34.6 t -57.22 -43.47 82.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.764 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -51.34 69.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 56.1 m -67.66 -46.22 73.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.281 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.08 96.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.092 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 20.7 pttp -65.62 -35.29 80.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.867 0.365 . . . . 0.0 110.607 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -76.01 -41.38 51.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.524 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1027 ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' 1031 ' ' LEU . 65.1 tp -60.71 -45.07 95.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.231 175.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.54 -41.82 97.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.376 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 8.8 m -72.23 -36.5 69.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.996 0.427 . . . . 0.0 110.321 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -58.76 -44.07 90.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.928 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1031 ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' 1027 ' ' LEU . 99.1 mt -65.61 -37.95 88.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.578 176.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -55.66 -56.2 23.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.636 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.98 -31.05 64.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.13 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 65.7 tp -63.93 -49.54 72.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.983 0.42 . . . . 0.0 110.306 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -56.19 -48.42 76.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.107 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 19.1 m -63.04 -42.88 99.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.29 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -69.13 -41.28 77.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.058 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.73 95.94 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.795 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -59.89 -46.34 89.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.53 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -64.25 -41.85 96.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.744 -177.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -68.14 -28.5 67.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.217 0.532 . . . . 0.0 110.53 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1042 ' ' GLN . . . . . 0.485 ' HG2' HG21 ' A' ' 987' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.257 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' 1040 ' ' LYS . 95.8 mt . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.554 0.216 . . . . 0.0 111.567 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 914' ' ' VAL . . . . . 0.652 HG11 ' HG3' ' A' ' 983' ' ' GLN . 15.9 m -69.77 -26.63 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.837 0.351 . . . . 0.0 110.996 -176.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -72.57 -36.4 68.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.092 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -69.66 -34.96 74.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.565 174.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.6 -44.03 97.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.264 176.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -54.9 -52.69 62.09 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.042 0.448 . . . . 0.0 110.721 174.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -60.01 -32.88 71.29 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.806 -177.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -75.87 -43.27 46.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.748 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.73 99.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.919 0.39 . . . . 0.0 111.183 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.98 -45.8 90.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.046 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -73.65 -31.04 63.29 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.483 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.69 -46.65 78.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 176.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.53 88.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.451 176.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 926' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 930' ' ' GLN . . . -62.93 -52.8 61.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.465 178.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 34.7 m -64.34 -32.74 74.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.061 -177.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 928' ' ' ALA . . . . . 0.61 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -64.86 -41.12 95.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.251 175.444 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 32.6 m -59.94 -42.87 94.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.248 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 930' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 926' ' ' ALA . 79.6 mt-30 -58.97 -45.8 89.66 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.328 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 19.9 m -68.86 -39.49 79.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.288 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 928' ' ' ALA . 63.6 mt -64.47 -43.7 96.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 177.49 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.79 -35.7 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.117 0.484 . . . . 0.0 110.569 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -73.65 -43.36 59.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.588 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -58.74 -45.79 88.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.313 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -63.61 -27.61 69.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.237 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.617 -174.879 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 951' ' ' LEU . 4.3 mm? . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 952' ' ' LEU . . . . . 0.472 HD21 ' CA ' ' A' 1004 ' ' ALA . 25.7 mt -56.02 -43.77 78.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.358 -178.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 953' ' ' VAL . . . . . 0.695 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 90.4 t -63.46 -29.04 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.829 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -72.02 -51.63 20.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.465 0.65 . . . . 0.0 109.87 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 955' ' ' SER . . . . . 0.435 ' O ' HG23 ' A' ' 959' ' ' VAL . 15.1 m -62.2 -44.01 97.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.613 -177.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 956' ' ' CYS . . . . . 0.695 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 20.8 p -63.39 -26.34 68.7 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -176.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 957' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 953' ' ' VAL . 39.2 mmtm -63.46 -49.49 73.44 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.797 0.332 . . . . 0.0 110.409 175.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.94 75.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.919 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 963' ' ' ILE . 87.1 t -62.95 -40.11 87.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 178.382 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -64.73 -14.18 57.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.623 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 961' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 36.1 mt-10 -88.99 -34.04 16.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.1 0.476 . . . . 0.0 110.198 176.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 962' ' ' GLN . . . . . 0.424 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 86.8 mm-40 -85.65 -27.09 25.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.129 -174.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.71 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 80.6 mt -55.53 -53.98 56.34 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 177.381 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.71 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 31.7 Cg_exo -59.94 -31.22 93.35 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.966 1.777 . . . . 0.0 112.167 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 73.8 mt -68.57 -41.78 79.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.737 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 970' ' ' VAL . 46.1 mt -54.62 -59.95 4.01 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.075 0.464 . . . . 0.0 110.248 173.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 49.6 t -62.01 -32.55 54.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.271 -176.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -61.59 -43.79 98.21 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 174.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.82 -43.15 92.3 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.922 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 966' ' ' LEU . 39.4 t -57.71 -51.13 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 CA-C-O 120.973 0.416 . . . . 0.0 110.164 178.109 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -66.02 -26.41 67.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.67 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.92 -41.96 99.77 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.527 174.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 28.7 t -71.97 -21.97 61.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.347 0.594 . . . . 0.0 109.888 176.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 974' ' ' GLN . 16.2 mm-40 -86.15 -2.39 58.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.648 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -116.0 -39.76 3.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.634 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 976' ' ' GLN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 979' ' ' SER . 45.1 mt-30 -136.44 68.4 60.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.426 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.54 -33.06 57.92 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.545 2.164 . . . . 0.0 113.053 -174.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -83.68 -17.8 40.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.89 0.376 . . . . 0.0 110.633 -177.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.432 ' HA ' ' HD2' ' A' ' 980' ' ' PRO . 21.1 m -82.13 124.89 78.28 Favored Pre-proline 0 N--CA 1.443 -0.791 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.797 -177.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 979' ' ' SER . 17.8 Cg_endo -58.51 -20.15 47.98 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.983 2.455 . . . . 0.0 112.327 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 2.1 m -57.9 -43.84 86.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.684 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.96 97.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.589 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 983' ' ' GLN . . . . . 0.652 ' HG3' HG11 ' A' ' 914' ' ' VAL . 2.0 mp0 -61.55 -51.31 69.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.666 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.17 -40.28 81.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.054 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.18 -50.32 70.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.766 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 8.6 mt -58.51 -53.05 62.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.502 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 987' ' ' ILE . . . . . 0.611 HD13 ' HA ' ' A' 1042 ' ' GLN . 75.0 mt -56.79 -47.06 83.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.927 -177.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -63.99 -51.58 63.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.129 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.23 93.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.374 -177.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.591 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 41.3 m -61.48 -49.39 76.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.213 -179.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 991' ' ' GLN . . . . . 0.767 ' HA ' HD12 ' A' ' 994' ' ' LEU . 77.1 mt-30 -67.52 -35.38 79.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.04 0.447 . . . . 0.0 110.685 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 32.5 t -66.25 -36.26 82.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.463 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.61 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 91.7 t80 -71.33 -32.71 68.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.0 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 991' ' ' GLN . 74.7 mt -58.41 -32.75 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.208 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.709 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 61.7 tt0 -60.19 -63.4 4.31 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.917 -176.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 72.1 Cg_endo -78.21 -28.3 4.84 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.484 1.456 . . . . 0.0 112.207 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.46 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.93 -49.88 68.54 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.159 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -63.44 -34.11 89.06 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.165 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 999' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 67.0 mttm -72.17 -31.81 66.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.443 0.163 . . . . 0.0 110.721 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 52.8 ttp -71.71 -33.92 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 997' ' ' GLY . 60.9 t -62.75 -45.32 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 173.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -60.89 -49.05 79.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.768 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -61.18 -42.25 98.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.801 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.16 -53.74 54.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.775 179.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.46 -36.54 78.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -74.56 -28.63 61.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.552 -177.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1007 ' ' SER . . . . . 0.486 ' O ' HG13 ' A' 1011 ' ' ILE . 56.7 p -81.62 -22.01 37.92 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.153 -0.219 . . . . 0.0 111.529 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.731 HG13 ' HB1' ' A' 1017 ' ' ALA . 75.9 t -50.44 -56.6 17.35 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1009 ' ' PRO . . . . . 0.519 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 73.2 Cg_endo -75.83 -4.86 15.75 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.03 1.82 . . . . 0.0 113.541 -177.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 26.6 p -101.41 -14.41 17.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.885 0.374 . . . . 0.0 111.355 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1011 ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' 1007 ' ' SER . 66.9 mt -85.15 131.22 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.035 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -70.85 -32.65 69.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.905 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 21.3 t70 -79.12 107.55 11.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.481 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -65.47 -35.68 81.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.455 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.51 83.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.952 0.406 . . . . 0.0 110.756 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 20.3 m -65.4 -35.62 81.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.783 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.731 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -62.78 -45.58 92.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.483 177.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 26.4 mmt -66.14 -37.7 86.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.639 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -60.1 -43.61 95.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.314 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.83 -44.01 94.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.033 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 29.6 t -59.59 -28.22 66.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.782 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -78.95 -53.11 7.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 60.2 m -62.27 -47.32 84.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.441 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1024 ' ' ALA . . . . . 0.405 ' HB1' HG13 ' A' 1001 ' ' VAL . . . -64.7 -27.23 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.201 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -70.83 -43.98 67.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.955 0.407 . . . . 0.0 109.953 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -64.72 -52.39 57.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.137 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1027 ' ' LEU . . . . . 0.451 ' O ' ' HG ' ' A' 1031 ' ' LEU . 58.9 tp -60.49 -46.48 89.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.132 -178.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.27 -44.37 96.55 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.822 -178.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.0 m -75.08 -32.68 61.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.85 0.357 . . . . 0.0 110.557 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.96 96.39 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1031 ' ' LEU . . . . . 0.555 HD22 HD23 ' A' ' 994' ' ' LEU . 95.9 mt -64.74 -32.84 74.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.808 176.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.34 -54.02 51.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.086 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.39 -28.0 46.89 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.871 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 65.4 tp -61.11 -50.16 74.38 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 120.891 0.376 . . . . 0.0 110.155 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -59.38 -41.18 88.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.526 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 24.4 m -68.56 -45.59 71.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -69.1 -37.25 78.31 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.099 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1038 ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' 1042 ' ' GLN . . . -64.38 -35.97 82.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 178.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -74.13 -37.47 64.06 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1040 ' ' LYS . . . . . 0.477 ' HB3' HD22 ' A' ' 913' ' ' LEU . 46.9 mttm -56.19 -57.74 10.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.858 175.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -65.1 -21.33 66.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.272 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1042 ' ' GLN . . . . . 0.611 ' HA ' HD13 ' A' ' 987' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.114 -177.118 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.616 0.246 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 914' ' ' VAL . . . . . 0.458 HG12 ' HG2' ' A' ' 983' ' ' GLN . 22.8 m -79.45 -34.42 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.334 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -62.61 -43.11 99.64 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.8 0.333 . . . . 0.0 111.054 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -67.09 -34.43 77.63 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.167 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 917' ' ' LEU . . . . . 0.808 ' HB3' HD13 ' A' ' 986' ' ' LEU . 9.6 mt -62.26 -48.75 78.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.804 177.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 69.2 mt-10 -52.1 -46.12 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.26 0.553 . . . . 0.0 111.199 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -79.98 -36.76 35.55 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.429 -174.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 920' ' ' ALA . . . . . 0.444 ' HA ' ' HG2' ' A' ' 923' ' ' GLN . . . -69.36 -37.25 77.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 921' ' ' ALA . . . . . 0.467 ' HB3' HG22 ' A' ' 970' ' ' VAL . . . -66.66 -40.76 88.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.928 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 922' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 7.5 mtmp? -68.61 -37.67 79.97 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.272 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 923' ' ' GLN . . . . . 0.444 ' HG2' ' HA ' ' A' ' 920' ' ' ALA . 10.8 pt20 -72.68 -33.67 66.69 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.05 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -66.0 -48.5 71.0 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.62 -43.36 89.62 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.876 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.05 -52.65 61.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.317 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 927' ' ' SER . . . . . 0.538 ' O ' ' HG2' ' A' ' 930' ' ' GLN . 50.9 m -62.4 -37.83 87.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.935 -178.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 928' ' ' ALA . . . . . 0.481 ' O ' HG13 ' A' ' 932' ' ' ILE . . . -61.41 -44.83 96.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.847 0.356 . . . . 0.0 110.452 177.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 86.1 m -55.8 -48.79 74.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.517 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 930' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 927' ' ' SER . 19.4 pt20 -69.63 -36.89 76.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.655 -176.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 30.4 m -63.54 -40.93 98.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.741 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.56 HG23 ' HB3' ' A' ' 956' ' ' CYS . 67.2 mt -59.08 -45.92 92.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.76 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.99 95.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.965 0.412 . . . . 0.0 110.869 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 934' ' ' ALA . . . . . 0.47 ' HB1' ' HG3' ' A' 1019 ' ' GLN . . . -66.07 -40.39 90.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.221 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.752 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -60.91 -40.65 93.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.363 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 936' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 21.9 mt-30 -64.15 -43.65 94.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.391 . . . . 0.0 110.504 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 86.0 t60 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.586 179.781 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.699 0.285 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 952' ' ' LEU . . . . . 0.752 ' HB3' ' HB1' ' A' ' 935' ' ' ALA . 91.6 mt -52.25 -64.16 0.91 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.47 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 953' ' ' VAL . . . . . 0.52 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 35.2 m -59.82 -33.98 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-O 120.966 0.412 . . . . 0.0 111.731 -176.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -65.47 -46.88 78.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.326 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 955' ' ' SER . . . . . 0.448 ' O ' HG23 ' A' ' 959' ' ' VAL . 31.2 p -65.96 -36.1 82.39 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.758 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 956' ' ' CYS . . . . . 0.56 ' HB3' HG23 ' A' ' 932' ' ' ILE . 72.9 m -59.74 -35.36 74.41 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.76 0.314 . . . . 0.0 111.346 178.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 957' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 62.0 mttp -61.55 -46.46 89.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.802 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -69.17 -42.45 75.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.881 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 963' ' ' ILE . 85.8 t -59.37 -43.36 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.53 -24.53 65.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.896 -177.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -76.39 -30.28 57.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.791 0.329 . . . . 0.0 110.966 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 962' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.06 -21.93 18.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.951 -173.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 959' ' ' VAL . 74.4 mt -51.85 -54.23 42.56 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 18.1 Cg_endo -59.43 -24.86 76.49 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.236 1.957 . . . . 0.0 113.025 -178.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 39.4 mt -71.09 -38.12 72.42 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.576 0.227 . . . . 0.0 110.709 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 970' ' ' VAL . 84.4 mt -58.37 -55.88 29.29 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.257 0.551 . . . . 0.0 109.691 175.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 967' ' ' VAL . . . . . 0.422 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 26.8 t -61.68 -35.61 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.867 -176.446 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -57.35 -49.31 76.55 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 110.147 173.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -61.93 -41.94 99.7 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.022 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 966' ' ' LEU . 42.1 t -54.65 -55.27 16.27 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 120.865 0.364 . . . . 0.0 110.687 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 971' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 971' ' ' ARG . 19.2 mtm180 -61.48 -33.03 73.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.084 -177.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -68.45 -43.57 77.32 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.018 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 973' ' ' SER . . . . . 0.599 ' HA ' ' HB1' ' A' ' 982' ' ' ALA . 36.8 t -66.63 -39.12 88.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.571 0.224 . . . . 0.0 111.019 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 85.1 mt-30 -59.6 -38.7 81.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.943 0.401 . . . . 0.0 110.583 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -76.24 -34.0 59.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.99 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -126.36 95.57 38.26 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.836 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.74 -21.75 69.68 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 C-N-CA 123.293 2.662 . . . . 0.0 113.469 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -149.44 83.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.095 0.474 . . . . 0.0 110.196 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 51.9 m -147.38 137.01 11.96 Favored Pre-proline 0 N--CA 1.444 -0.761 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.901 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.18 -47.39 27.01 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.102 2.535 . . . . 0.0 112.501 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 70.4 m -62.75 -35.1 78.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.715 0.293 . . . . 0.0 111.608 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 982' ' ' ALA . . . . . 0.599 ' HB1' ' HA ' ' A' ' 973' ' ' SER . . . -71.91 -48.81 42.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.119 0.485 . . . . 0.0 110.587 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 983' ' ' GLN . . . . . 0.458 ' HG2' HG12 ' A' ' 914' ' ' VAL . 76.9 mt-30 -66.17 -45.41 80.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.394 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.85 -39.54 89.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.116 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.48 95.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.79 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 986' ' ' LEU . . . . . 0.808 HD13 ' HB3' ' A' ' 917' ' ' LEU . 10.2 mt -72.03 -55.71 6.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.576 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 987' ' ' ILE . . . . . . . . . . . . . 82.6 mt -56.92 -50.74 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.489 -174.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.02 91.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.113 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -66.91 -44.01 81.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.659 -177.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.667 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.7 m -58.21 -50.55 73.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.113 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 991' ' ' GLN . . . . . 0.775 ' HA ' HD12 ' A' ' 994' ' ' LEU . 95.4 mt-30 -66.14 -33.58 76.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.029 0.443 . . . . 0.0 110.821 -178.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 64.9 m -70.79 -26.17 63.2 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.023 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.554 ' HE2' HD21 ' A' 1031 ' ' LEU . 74.4 t80 -82.15 -33.48 29.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.948 0.404 . . . . 0.0 110.38 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 991' ' ' GLN . 79.2 mt -57.9 -40.11 79.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.921 -178.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.558 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 16.6 tp60 -64.49 -58.54 13.3 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.989 -174.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 54.0 Cg_endo -71.82 -31.75 12.46 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 121.836 1.691 . . . . 0.0 112.159 177.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.97 -44.45 97.37 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.817 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.17 -28.72 71.18 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.09 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -66.84 -39.22 87.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.456 0.17 . . . . 0.0 110.728 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 48.7 ttp -73.28 -33.49 65.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.012 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 997' ' ' GLY . 56.4 t -62.59 -48.86 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.981 174.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -64.02 -42.44 97.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.987 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.48 93.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.84 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' 1008 ' ' VAL . . . -60.55 -53.38 58.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.03 -29.69 71.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.968 0.414 . . . . 0.0 111.593 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -81.75 -21.84 37.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.397 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1007 ' ' SER . . . . . 0.41 ' O ' HG13 ' A' 1011 ' ' ILE . 50.6 m -86.56 -23.27 25.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.986 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' 1004 ' ' ALA . 85.8 t -50.81 -57.63 12.87 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1009 ' ' PRO . . . . . 0.504 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 54.8 Cg_endo -69.67 -20.81 34.8 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.95 1.767 . . . . 0.0 113.381 -176.071 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 29.3 p -84.86 -13.61 50.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.802 0.334 . . . . 0.0 111.749 -176.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1011 ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' 1007 ' ' SER . 90.7 mt -94.22 126.86 46.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.424 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -68.75 -41.19 79.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.995 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.25 108.66 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 110.41 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.541 ' O ' ' HG3' ' A' 1018 ' ' MET . 45.8 mt-30 -70.08 -26.18 63.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.383 -175.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -62.4 -49.13 76.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.649 0.261 . . . . 0.0 110.64 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 38.2 m -66.13 -35.69 81.16 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.364 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -63.46 -48.08 79.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1018 ' ' MET . . . . . 0.541 ' HG3' ' O ' ' A' 1014 ' ' GLN . 83.9 mtp -63.24 -34.88 78.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.009 0.433 . . . . 0.0 110.298 177.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1019 ' ' GLN . . . . . 0.47 ' HG3' ' HB1' ' A' ' 934' ' ' ALA . 50.7 tp60 -61.7 -46.04 91.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.133 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1020 ' ' LEU . . . . . 0.735 ' HA ' ' SG ' ' A' 1023 ' ' CYS . 26.2 mt -69.13 -40.86 78.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.246 177.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 32.3 t -56.71 -43.36 80.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1022 ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' 1025 ' ' LYS . 6.4 tp60 -67.89 -54.57 17.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.744 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1023 ' ' CYS . . . . . 0.735 ' SG ' ' HA ' ' A' 1020 ' ' LEU . 24.8 p -63.43 -42.09 98.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.608 0.242 . . . . 0.0 111.427 -174.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.54 86.55 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1025 ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' 1022 ' ' GLN . 14.4 ptmm? -72.57 -29.69 63.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.175 -179.195 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.17 -52.66 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.984 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 43.3 tp -61.13 -40.54 94.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.666 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.77 -50.55 66.2 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.534 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 6.4 m -69.81 -33.24 72.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.821 0.343 . . . . 0.0 110.762 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -62.03 -49.2 76.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.288 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1031 ' ' LEU . . . . . 0.554 HD21 ' HE2' ' A' ' 993' ' ' PHE . 95.3 mt -64.93 -32.17 73.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.737 178.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.2 -55.73 25.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.536 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -81.68 -20.93 38.52 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.323 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -45.3 68.51 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -64.07 -40.89 97.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.301 176.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1036 ' ' THR . . . . . 0.562 HG22 ' HE2' ' A' 1040 ' ' LYS . 61.8 m -66.0 -35.84 81.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.802 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.83 -53.1 52.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.019 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.12 80.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.171 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -62.97 -52.51 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.693 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1040 ' ' LYS . . . . . 0.562 ' HE2' HG22 ' A' 1036 ' ' THR . 58.1 mtmt -68.7 -20.84 64.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.76 0.314 . . . . 0.0 111.288 -177.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -83.26 -20.76 33.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.88 0.371 . . . . 0.0 110.833 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 22.6 tm0? . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.198 -176.648 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.809 0.338 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 30.9 m -69.72 -25.8 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.591 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -56.22 -43.15 78.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.196 173.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -72.67 -39.88 66.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.79 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 917' ' ' LEU . . . . . 0.478 ' HG ' HD22 ' A' ' 986' ' ' LEU . 62.0 tp -55.51 -46.28 76.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.051 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -53.42 -53.29 53.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.18 0.514 . . . . 0.0 111.141 177.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -69.98 -33.07 71.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.068 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -69.37 -38.8 78.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.703 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -68.57 -38.99 81.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.865 0.364 . . . . 0.0 110.643 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -61.5 -50.72 71.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.941 177.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -66.98 -30.44 70.55 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.723 0.297 . . . . 0.0 110.567 -178.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.0 -49.42 61.68 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.124 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.68 84.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.39 177.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -61.79 -55.36 30.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.269 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 47.3 m -63.93 -35.12 79.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.407 -176.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 928' ' ' ALA . . . . . 0.507 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.83 -44.72 96.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.887 0.375 . . . . 0.0 110.213 176.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 28.4 m -61.15 -40.73 94.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.495 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -62.21 -38.6 89.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.755 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 19.0 m -71.83 -46.02 59.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.683 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.561 HG23 ' HB3' ' A' ' 956' ' ' CYS . 69.1 mt -59.34 -48.15 88.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 120.719 0.295 . . . . 0.0 111.641 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -57.88 -36.08 71.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.429 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -82.52 -44.44 15.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.708 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -62.31 -41.82 98.86 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -174.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -78.05 8.69 4.45 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 41.2 m80 . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -177.922 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 951' ' ' LEU . . . . . 0.845 HD12 ' HB2' ' A' 1003 ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.101 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 952' ' ' LEU . . . . . 0.708 ' HB3' ' HB1' ' A' ' 935' ' ' ALA . 12.6 mt -47.77 -57.58 5.41 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.672 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 953' ' ' VAL . . . . . 0.46 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 43.8 t -53.88 -37.12 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.578 -176.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -70.98 -42.76 69.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.656 -179.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 955' ' ' SER . . . . . 0.408 ' O ' HG23 ' A' ' 959' ' ' VAL . 22.7 m -64.89 -40.56 95.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.731 177.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 956' ' ' CYS . . . . . 0.561 ' HB3' HG23 ' A' ' 932' ' ' ILE . 73.4 m -56.2 -33.26 65.15 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 178.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 957' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 62.7 mttm -62.51 -50.0 73.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.45 178.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.25 80.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 963' ' ' ILE . 91.6 t -64.15 -42.23 94.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.243 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.93 -23.31 65.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.853 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 961' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 15.1 mm-40 -83.87 -20.16 33.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.755 0.312 . . . . 0.0 110.798 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 962' ' ' GLN . . . . . 0.411 ' HB3' ' HD1' ' A' ' 993' ' ' PHE . 85.7 mm-40 -95.71 -24.55 16.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.581 -177.291 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 959' ' ' VAL . 74.0 mt -53.19 -55.76 30.83 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 18.5 Cg_endo -59.5 -33.76 97.12 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.905 1.736 . . . . 0.0 112.007 179.038 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.8 -37.87 89.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.789 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.643 ' O ' HG23 ' A' ' 970' ' ' VAL . 85.7 mt -56.64 -56.85 16.21 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.999 173.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.22 -36.37 75.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.375 -175.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -58.91 -42.94 90.85 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.878 0.371 . . . . 0.0 110.044 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.3 -43.81 92.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.964 176.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 966' ' ' LEU . 39.5 t -56.85 -43.62 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.007 0.432 . . . . 0.0 110.14 177.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -57.03 -41.06 77.91 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.084 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.03 -46.55 93.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.438 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 16.0 t -69.03 -34.89 75.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.754 0.311 . . . . 0.0 110.637 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -63.99 -38.3 90.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.813 0.339 . . . . 0.0 110.469 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -72.17 -55.66 6.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.782 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -136.19 95.21 13.47 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -67.16 -21.87 47.89 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.29 1.993 . . . . 0.0 111.289 175.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.84 -14.36 59.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.739 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.412 ' O ' ' HG2' ' A' ' 983' ' ' GLN . 32.8 t -82.92 115.42 58.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 -175.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.558 ' O ' ' HG ' ' A' ' 984' ' ' LEU . 18.0 Cg_exo -66.03 -34.74 36.86 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.411 2.074 . . . . 0.0 110.927 175.263 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 15.8 m -63.25 -41.99 99.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.708 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.6 91.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.498 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 983' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 979' ' ' SER . 53.9 mm-40 -66.03 -43.77 86.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.92 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 984' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 980' ' ' PRO . 93.7 mt -55.95 -38.94 71.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.866 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.59 80.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.674 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 986' ' ' LEU . . . . . 0.478 HD22 ' HG ' ' A' ' 917' ' ' LEU . 0.7 OUTLIER -63.84 -52.44 60.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.372 -179.292 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 987' ' ' ILE . . . . . . . . . . . . . 84.7 mt -58.09 -49.59 80.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.263 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -60.44 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.159 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.11 83.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.291 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.524 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 51.9 m -65.89 -45.67 81.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 991' ' ' GLN . . . . . 0.483 ' HA ' HD12 ' A' ' 994' ' ' LEU . 95.4 mt-30 -69.26 -37.41 77.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.882 0.373 . . . . 0.0 110.435 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 73.5 m -75.37 -5.87 47.05 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.272 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.507 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 78.2 t80 -95.04 -31.6 13.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.072 0.463 . . . . 0.0 109.862 175.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 990' ' ' SER . 61.2 mt -59.34 -40.4 86.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.468 177.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.838 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 52.2 tt0 -54.66 -63.71 2.61 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.759 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.838 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 12.2 Cg_exo -70.7 -33.65 12.69 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 121.897 1.732 . . . . 0.0 111.977 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.1 -49.43 75.07 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.463 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.22 -34.71 85.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.084 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.77 -37.6 86.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.817 0.341 . . . . 0.0 110.582 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 46.7 ttp -73.8 -33.14 64.09 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.233 -177.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 997' ' ' GLY . 58.1 t -62.56 -45.43 98.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.963 0.411 . . . . 0.0 110.03 175.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.1 88.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.604 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1003 ' ' ALA . . . . . 0.845 ' HB2' HD12 ' A' ' 951' ' ' LEU . . . -65.28 -41.73 93.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.822 177.007 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.633 ' O ' HG23 ' A' 1008 ' ' VAL . . . -60.71 -51.99 67.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.965 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.18 -32.1 66.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.656 -178.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -84.64 -21.87 30.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.675 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1007 ' ' SER . . . . . 0.48 ' O ' HG13 ' A' 1011 ' ' ILE . 14.4 t -90.67 -24.54 20.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.653 0.263 . . . . 0.0 110.893 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' 1004 ' ' ALA . 84.6 t -55.03 -51.03 82.96 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1009 ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' 1008 ' ' VAL . 35.2 Cg_endo -65.36 -20.82 61.61 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.871 1.714 . . . . 0.0 112.954 -176.26 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 72.8 p -84.93 -14.66 46.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.124 0.488 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1011 ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' 1007 ' ' SER . 61.8 mt -81.88 116.08 25.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 27.4 pt20 -86.83 -2.33 58.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.905 0.383 . . . . 0.0 110.974 -177.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.14 121.14 31.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.538 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1014 ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' 1018 ' ' MET . 80.9 mm-40 -63.55 -59.27 4.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.634 -171.067 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -61.94 -39.07 90.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.736 0.303 . . . . 0.0 111.102 -176.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 19.1 m -62.8 -44.38 96.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.891 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.449 ' HB2' ' HB ' ' A' 1011 ' ' ILE . . . -70.35 -41.8 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.137 -179.16 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1018 ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' 1014 ' ' GLN . 92.5 mtp -61.83 -42.47 99.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.283 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -68.14 -38.5 82.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.549 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1020 ' ' LEU . . . . . 0.554 HD11 HD11 ' A' ' 952' ' ' LEU . 2.1 tm? -61.0 -44.84 96.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.866 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1021 ' ' SER . . . . . 0.423 ' HB2' HG21 ' A' 1008 ' ' VAL . 47.9 t -68.38 -33.97 75.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -63.25 -48.0 80.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.22 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 72.0 m -60.63 -41.83 95.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.829 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.0 97.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 177.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -62.95 -44.88 94.85 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.441 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.32 -47.09 80.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.64 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 60.8 tp -63.58 -44.28 94.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.16 -39.63 92.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.165 -0.54 . . . . 0.0 112.439 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.8 m -77.42 -36.44 53.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 110.783 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.29 92.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.257 176.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.43 -31.04 68.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.769 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.54 -57.07 12.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.77 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.68 -22.48 34.54 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.046 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.38 -43.58 98.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.297 0.57 . . . . 0.0 109.715 174.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 32.0 ttp-105 -59.4 -40.23 85.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.652 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 29.4 m -72.2 -45.7 59.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.009 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -59.32 -50.39 74.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.38 -35.83 80.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -67.28 -51.48 52.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -67.0 -31.38 71.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.898 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -68.91 -35.61 77.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.079 0.466 . . . . 0.0 110.262 175.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 63.5 tt0 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.972 177.92 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 913' ' ' LEU . . . . . 0.549 ' HA ' ' HD3' ' A' ' 916' ' ' ARG . 64.0 mt . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.613 0.244 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 914' ' ' VAL . . . . . 0.568 HG11 ' HG2' ' A' ' 983' ' ' GLN . 26.3 m -87.15 -26.55 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -67.7 -18.41 64.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.228 0.537 . . . . 0.0 110.581 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 916' ' ' ARG . . . . . 0.624 ' NH2' ' HA ' ' A' 1037 ' ' ALA . 20.6 mtp-105 -67.38 -34.15 76.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.691 173.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 917' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 914' ' ' VAL . 20.9 mt -70.09 -40.03 75.22 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.009 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 918' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 83.5 mt-10 -53.75 -48.9 69.24 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.523 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -61.16 -53.96 50.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.988 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.42 73.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.67 -175.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -63.65 -35.31 80.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -173.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 922' ' ' LYS . . . . . 0.438 ' CG ' HG11 ' A' ' 970' ' ' VAL . 55.4 mtmt -59.36 -54.32 48.13 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.708 0.289 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -80.5 -17.65 50.93 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.278 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.52 -48.89 63.18 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 172.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 925' ' ' ALA . . . . . 0.713 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -60.05 -37.6 80.31 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.663 176.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.42 -54.9 21.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.911 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 42.7 m -60.29 -34.71 74.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.139 -178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 928' ' ' ALA . . . . . 0.523 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -62.25 -46.3 89.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.555 176.27 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 42.1 m -61.31 -36.16 79.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.538 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -68.02 -40.22 82.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.715 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 23.5 m -66.21 -39.41 89.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.496 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 932' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 928' ' ' ALA . 79.2 mt -63.83 -41.64 93.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.279 176.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -62.84 -39.48 94.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.669 177.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 934' ' ' ALA . . . . . 0.407 ' HB2' ' HG3' ' A' 1019 ' ' GLN . . . -65.7 -43.41 89.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.657 176.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 935' ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -64.24 -43.42 94.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.26 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -76.06 -4.91 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 0.0 111.641 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 25.1 t60 . . . . . 0 C--N 1.323 -0.585 0 CA-C-O 121.571 0.701 . . . . 0.0 109.302 173.798 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.823 0.344 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 952' ' ' LEU . . . . . 0.616 HD21 ' HA ' ' A' 1004 ' ' ALA . 95.6 mt -50.63 -53.24 32.4 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.429 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 953' ' ' VAL . . . . . 0.656 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 48.0 t -54.24 -41.71 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.14 -176.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 954' ' ' GLN . . . . . 0.723 ' HA ' ' HE2' ' A' ' 957' ' ' LYS . 26.6 mm-40 -64.11 -52.58 58.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.884 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 955' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 959' ' ' VAL . 16.7 m -64.95 -41.08 95.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.176 -178.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 87.0 m -59.4 -38.12 79.76 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.606 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 957' ' ' LYS . . . . . 0.723 ' HE2' ' HA ' ' A' ' 954' ' ' GLN . 51.9 mtmt -56.68 -53.61 55.68 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 120.755 0.312 . . . . 0.0 110.193 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 958' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -61.76 -48.38 80.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.277 -178.322 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 959' ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' ' 963' ' ' ILE . 95.6 t -59.33 -43.3 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.195 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -63.03 -19.81 64.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.786 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 961' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 66.8 mt-10 -90.34 -22.75 21.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.012 0.434 . . . . 0.0 110.616 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 962' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 958' ' ' ALA . 83.5 mm-40 -89.73 -25.85 20.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 963' ' ' ILE . . . . . 0.713 HG23 ' HB1' ' A' ' 925' ' ' ALA . 83.2 mt -55.17 -54.25 52.55 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.03 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 964' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 18.0 Cg_endo -59.04 -31.53 95.81 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.02 1.813 . . . . 0.0 112.159 177.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 70.7 mt -68.64 -39.1 80.9 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.816 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 966' ' ' LEU . . . . . 0.602 ' O ' HG23 ' A' ' 970' ' ' VAL . 66.9 mt -57.3 -59.54 4.96 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.087 0.47 . . . . 0.0 109.934 173.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.59 -34.19 60.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.099 -175.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -59.41 -43.45 93.0 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.056 0.455 . . . . 0.0 109.986 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -69.88 -43.49 65.88 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.033 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 970' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 966' ' ' LEU . 58.2 t -58.11 -55.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.893 0.378 . . . . 0.0 111.057 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -68.12 -23.66 64.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.705 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -71.6 -44.37 49.72 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.704 174.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 27.8 t -66.29 -34.84 78.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 110.331 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 974' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 55.3 mt-30 -65.85 -38.76 89.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.177 175.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -66.54 -49.57 66.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.812 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -129.72 89.49 46.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -76.4 -4.69 15.36 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.706 2.271 . . . . 0.0 112.441 178.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -99.0 -27.99 13.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.627 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 979' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 980' ' ' PRO . 71.4 m -86.32 111.83 41.76 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.637 -173.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 980' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 979' ' ' SER . 26.5 Cg_exo -61.62 -23.55 76.59 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.196 2.597 . . . . 0.0 112.43 -175.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 2.6 m -59.5 -41.82 90.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.227 178.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -67.55 -41.92 83.48 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.537 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 983' ' ' GLN . . . . . 0.568 ' HG2' HG11 ' A' ' 914' ' ' VAL . 2.3 mp0 -60.3 -52.38 65.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.324 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.87 -33.12 73.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.412 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.15 -32.23 73.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.976 0.417 . . . . 0.0 110.559 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 986' ' ' LEU . . . . . 0.443 HD22 ' HB3' ' A' ' 917' ' ' LEU . 2.3 tt -79.24 -47.79 15.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.529 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 987' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 983' ' ' GLN . 73.8 mt -57.48 -50.59 76.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.28 -177.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.74 92.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.028 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.01 94.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 990' ' ' SER . . . . . 0.554 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 37.1 m -61.92 -46.62 88.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.697 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 991' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -59.08 -43.5 91.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.237 0.541 . . . . 0.0 110.534 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 16.6 t -80.34 1.44 28.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.893 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 993' ' ' PHE . . . . . 0.523 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 81.8 t80 -102.91 -31.37 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.108 0.48 . . . . 0.0 109.804 175.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 994' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 990' ' ' SER . 72.0 mt -58.39 -42.32 86.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.529 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 995' ' ' GLN . . . . . 0.61 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 45.3 tt0 -58.04 -64.45 2.74 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.926 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 996' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 55.5 Cg_endo -69.93 -30.81 20.89 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 121.677 1.585 . . . . 0.0 112.179 -179.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 997' ' ' GLY . . . . . 0.495 ' O ' HG23 ' A' 1001 ' ' VAL . . . -65.22 -53.02 35.56 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.093 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.99 90.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.808 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -65.91 -38.31 88.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.714 -0.243 . . . . 0.0 111.076 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 51.7 ttp -72.75 -31.5 64.97 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.355 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1001 ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 997' ' ' GLY . 93.4 t -61.13 -48.64 88.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 173.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -63.87 -44.87 91.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.701 178.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.94 95.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.954 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1004 ' ' ALA . . . . . 0.616 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -60.31 -48.05 83.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.535 177.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 63.7 mttm -60.12 -40.57 90.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.231 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -72.69 -17.91 61.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.533 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1007 ' ' SER . . . . . 0.436 ' O ' HG13 ' A' 1011 ' ' ILE . 46.2 m -87.41 -28.25 22.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.986 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1008 ' ' VAL . . . . . 0.641 HG13 ' HB1' ' A' 1017 ' ' ALA . 98.9 t -51.47 -53.01 54.45 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -177.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1009 ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' 1008 ' ' VAL . 41.7 Cg_endo -68.1 -24.51 38.6 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.806 1.671 . . . . 0.0 112.847 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 63.0 p -87.04 7.49 27.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.155 0.502 . . . . 0.0 111.21 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1011 ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' 1007 ' ' SER . 86.6 mt -119.26 129.28 75.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.868 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -87.33 -16.07 36.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.046 0.45 . . . . 0.0 110.714 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 12.5 t70 -80.7 114.54 19.66 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -14.11 58.3 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.771 -173.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -73.04 -49.41 28.85 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 44.0 m -67.14 -36.6 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.25 175.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1017 ' ' ALA . . . . . 0.641 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -62.84 -47.56 82.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.337 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1018 ' ' MET . . . . . 0.51 ' HA ' ' CE ' ' A' 1018 ' ' MET . 21.2 mmt -71.17 -34.96 71.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.834 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1019 ' ' GLN . . . . . 0.407 ' HG3' ' HB2' ' A' ' 934' ' ' ALA . 57.4 tp60 -61.75 -43.47 98.78 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 17.6 mt -59.93 -50.45 73.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.23 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 41.7 t -57.13 -42.14 80.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.123 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -69.53 -45.11 69.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.823 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 77.8 m -65.67 -46.39 79.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.963 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1024 ' ' ALA . . . . . 0.431 ' HB1' HG13 ' A' 1001 ' ' VAL . . . -60.06 -35.23 74.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.745 0.307 . . . . 0.0 111.098 178.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -65.38 -47.38 76.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 110.458 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -66.5 -46.37 76.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.04 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.69 -42.39 97.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.435 177.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.95 -45.95 94.38 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.342 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 8.9 m -70.27 -34.2 72.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.065 0.46 . . . . 0.0 110.504 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.1 -45.37 95.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.277 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1031 ' ' LEU . . . . . 0.415 HD22 HD23 ' A' ' 994' ' ' LEU . 96.5 mt -68.66 -32.72 72.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.62 177.137 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.65 -49.5 77.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.047 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.99 -29.77 49.84 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.76 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 54.1 tp -65.38 -46.0 81.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.541 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -63.1 -47.06 84.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 11.1 m -61.81 -35.82 79.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.153 0.501 . . . . 0.0 110.495 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1037 ' ' ALA . . . . . 0.624 ' HA ' ' NH2' ' A' ' 916' ' ' ARG . . . -67.87 -51.24 50.45 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.56 177.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.8 90.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.264 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -56.29 -60.69 3.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.695 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1040 ' ' LYS . . . . . 0.485 ' O ' HD13 ' A' ' 913' ' ' LEU . 56.3 mtmt -80.82 13.75 2.5 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.633 -176.257 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -113.15 -7.27 13.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.109 0.481 . . . . 0.0 109.951 172.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.484 -178.609 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 49.0 mm -97.87 102.64 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.987 0.422 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -109.43 108.0 59.76 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 173.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 910' ' ' PRO . . . . . 0.503 ' HG2' HG23 ' A' ' 912' ' ' THR . 94.1 Cg_endo -82.64 -160.66 0.13 Allowed 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 123.266 2.644 . . . . 0.0 112.554 -175.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -77.45 -44.57 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.172 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 912' ' ' THR . . . . . 0.503 HG23 ' HG2' ' A' ' 910' ' ' PRO . 47.4 p 58.83 131.57 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 176.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' 1041 ' ' ALA . 60.1 mt 68.61 -54.53 0.54 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.439 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 914' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 29.2 m -72.71 -22.28 20.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.83 -51.14 66.8 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.379 177.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 916' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 916' ' ' ARG . 11.7 ptp180 -73.59 -30.52 63.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.609 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 917' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' A' 1038 ' ' ALA . 21.2 mt -61.09 -52.82 63.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.777 176.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.562 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 37.7 mt-10 -51.22 -54.38 26.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.231 0.539 . . . . 0.0 110.7 178.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -65.52 -44.81 85.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.102 -174.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.39 77.22 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.366 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -68.22 -36.25 79.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.352 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 922' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 94.0 mttt -61.71 -52.15 65.46 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.834 0.35 . . . . 0.0 110.489 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -70.31 -27.39 64.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.666 -178.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 924' ' ' ALA . . . . . 0.493 ' HA ' ' HB1' ' A' 1030 ' ' ALA . . . -67.26 -49.84 62.81 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 925' ' ' ALA . . . . . 0.468 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -58.39 -42.46 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.73 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.24 -52.76 60.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.284 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 47.0 m -66.64 -34.51 78.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.363 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 928' ' ' ALA . . . . . 0.551 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.55 -49.08 78.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.714 0.292 . . . . 0.0 110.847 178.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 45.5 m -56.37 -42.84 78.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.885 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -65.51 -42.25 92.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.054 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 931' ' ' THR . . . . . 0.422 ' HA ' ' HB3' ' A' 1023 ' ' CYS . 25.3 m -64.09 -42.77 96.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.687 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.61 ' O ' ' HG2' ' A' ' 936' ' ' GLN . 89.9 mt -59.27 -47.73 89.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 933' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 937' ' ' HIS . . . -61.51 -27.61 68.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.763 -177.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -87.71 -41.94 12.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.32 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -61.1 -51.58 68.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.815 -175.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 936' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 13.8 pt20 -85.85 6.95 25.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.517 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 937' ' ' HIS . . . . . 0.45 ' HB2' ' O ' ' A' ' 933' ' ' ALA . 62.9 t-80 -77.26 -28.11 53.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 109.936 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -127.35 -52.07 1.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.272 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . 67.17 117.77 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.569 0.7 . . . . 0.0 111.514 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.419 ' OG ' ' HB3' ' A' 1007 ' ' SER . 6.5 m -84.18 40.07 0.75 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.468 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -98.48 123.78 48.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.037 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.73 152.66 79.5 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.782 2.321 . . . . 0.0 112.082 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -89.74 -17.37 28.39 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -105.15 102.82 12.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.222 -0.299 . . . . 0.0 111.018 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 42.0 p 179.98 -175.86 0.31 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.31 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -107.45 2.17 24.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.751 0.31 . . . . 0.0 111.028 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 164.39 82.25 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -97.46 30.11 0.16 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 123.581 2.854 . . . . 0.0 113.213 -176.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -49.48 112.08 2.37 Favored Pre-proline 0 N--CA 1.466 0.364 0 O-C-N 123.48 0.487 . . . . 0.0 111.318 -174.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.57 132.0 31.63 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.802 2.334 . . . . 0.0 112.367 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.629 HD12 ' HB2' ' A' 1003 ' ' ALA . 1.8 tm? -60.94 -30.91 70.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.383 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 952' ' ' LEU . . . . . 0.619 HD21 ' HA ' ' A' 1004 ' ' ALA . 62.8 mt -50.5 -64.81 0.69 Allowed 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.191 173.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 98.6 t -60.6 -36.79 72.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.6 -174.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -63.29 -38.4 91.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.197 0.523 . . . . 0.0 110.544 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 36.5 m -81.2 -32.62 33.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.718 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 956' ' ' CYS . . . . . 0.545 ' HB3' HG23 ' A' ' 932' ' ' ILE . 93.4 m -56.01 -47.24 78.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.191 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -66.4 -35.45 80.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.404 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 958' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -67.11 -52.38 42.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.065 0.459 . . . . 0.0 110.448 177.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.535 ' O ' HG13 ' A' ' 963' ' ' ILE . 71.6 t -59.83 -41.33 85.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.26 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -56.02 -33.92 65.36 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -86.69 -14.34 42.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.676 0.274 . . . . 0.0 111.441 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 962' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 958' ' ' ALA . 29.7 mm-40 -90.73 -25.83 19.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.815 0.341 . . . . 0.0 110.498 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.688 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 91.3 mt -53.37 -53.57 54.95 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.138 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.688 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 49.2 Cg_exo -57.36 -34.42 97.88 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.042 1.828 . . . . 0.0 112.252 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.24 -42.05 96.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 970' ' ' VAL . 91.1 mt -56.49 -56.98 14.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.81 175.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 44.0 t -61.97 -36.29 73.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.237 -176.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -61.57 -44.76 96.43 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -63.71 -43.6 97.57 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.738 175.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 966' ' ' LEU . 70.1 t -56.23 -55.24 19.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.729 0.299 . . . . 0.0 110.643 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 971' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 971' ' ' ARG . 20.2 mtm180 -61.24 -34.18 74.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -65.32 -42.12 96.28 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.797 -0.715 . . . . 0.0 111.652 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 973' ' ' SER . . . . . 0.551 ' HB2' HD12 ' A' ' 986' ' ' LEU . 28.9 t -67.99 -36.6 80.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.694 0.283 . . . . 0.0 110.719 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.548 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 24.5 mt-30 -61.32 -40.45 94.24 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.278 0.561 . . . . 0.0 110.306 177.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -77.39 -47.32 20.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.877 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -129.46 81.6 69.58 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.51 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -71.88 -18.16 28.33 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.69 2.26 . . . . 0.0 111.657 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -104.76 22.83 14.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.695 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 29.0 t -112.21 115.38 50.12 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.448 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.16 -26.26 82.08 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.645 2.23 . . . . 0.0 111.661 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 14.5 m -66.13 -47.01 75.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.22 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -73.0 -38.94 66.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.572 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 983' ' ' GLN . . . . . 0.478 ' O ' HG13 ' A' ' 987' ' ' ILE . 54.0 mt-30 -57.26 -61.17 2.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.142 177.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 984' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 984' ' ' LEU . 4.3 mm? -61.46 -32.06 72.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.3 -177.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -61.22 -49.93 75.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 110.519 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 986' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 973' ' ' SER . 1.2 tt -64.0 -46.45 84.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.848 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 987' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 983' ' ' GLN . 79.2 mt -58.83 -45.65 91.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.079 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -66.96 -45.36 77.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.873 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.14 89.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.583 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 50.6 m -59.33 -50.65 73.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.751 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 991' ' ' GLN . . . . . 0.721 ' HA ' HD12 ' A' ' 994' ' ' LEU . 51.9 mt-30 -67.96 -31.56 71.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.984 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 33.7 t -69.7 -32.19 70.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.354 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.551 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 83.1 t80 -75.77 -35.57 60.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.804 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 991' ' ' GLN . 70.4 mt -58.53 -38.39 77.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.592 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.673 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 46.5 tt0 -58.26 -60.43 10.2 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.11 -174.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 77.7 Cg_endo -78.32 -27.63 5.23 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.845 1.697 . . . . 0.0 112.233 177.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.448 ' O ' HG23 ' A' 1001 ' ' VAL . . . -64.29 -47.0 89.22 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.147 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.69 -33.72 86.1 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.056 -0.593 . . . . 0.0 112.005 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.6 -42.59 98.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.735 0.302 . . . . 0.0 110.612 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 45.8 ttp -69.7 -32.56 71.22 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.09 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 997' ' ' GLY . 65.5 t -65.33 -50.25 74.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.982 0.42 . . . . 0.0 110.152 175.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.764 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1003 ' ' ALA . . . . . 0.629 ' HB2' HD12 ' A' ' 951' ' ' LEU . . . -65.23 -44.54 87.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.877 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.619 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -55.94 -52.59 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.801 -177.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 68.9 mttm -58.22 -33.02 68.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.555 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -87.79 -15.81 35.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.426 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1007 ' ' SER . . . . . 0.627 ' O ' HG13 ' A' 1011 ' ' ILE . 51.0 m -93.41 -21.16 19.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.062 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' 1004 ' ' ALA . 72.6 t -52.39 -53.84 48.67 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.17 -11.37 30.18 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.784 1.656 . . . . 0.0 112.743 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 44.9 p -105.24 5.02 31.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.95 0.405 . . . . 0.0 111.22 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' 1007 ' ' SER . 60.9 mt -85.67 128.98 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -76.07 -36.24 59.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.666 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.86 115.13 18.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.0 0.429 . . . . 0.0 110.526 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.48 -39.61 91.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.511 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.86 -50.15 75.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 22.6 m -62.89 -41.69 99.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.097 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -58.88 -53.7 55.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.973 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 90.0 mmm -65.05 -36.67 85.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -65.82 -47.05 76.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.244 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.95 -38.04 84.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.627 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 37.5 m -56.6 -48.77 76.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -69.39 -41.29 76.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.677 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1023 ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 931' ' ' THR . 83.3 m -61.78 -49.62 75.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.338 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.4 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.82 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -68.32 -35.46 77.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.273 0.559 . . . . 0.0 110.103 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -73.02 -48.56 35.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.18 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1027 ' ' LEU . . . . . 0.469 ' O ' ' HG ' ' A' 1031 ' ' LEU . 48.9 tp -61.75 -42.42 98.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -178.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.59 -41.59 97.37 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.362 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 23.7 m -74.68 -33.86 62.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.113 0.483 . . . . 0.0 110.371 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1030 ' ' ALA . . . . . 0.493 ' HB1' ' HA ' ' A' ' 924' ' ' ALA . . . -61.96 -43.8 98.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.159 175.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1031 ' ' LEU . . . . . 0.643 HD22 HD23 ' A' ' 994' ' ' LEU . 88.1 mt -66.54 -35.91 81.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.408 176.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.48 -42.42 78.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.148 0.499 . . . . 0.0 110.6 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -69.33 -57.16 5.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.474 175.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1034 ' ' LEU . . . . . 0.445 ' HG ' ' HB3' ' A' ' 990' ' ' SER . 28.8 tp -57.25 -45.48 83.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.184 -173.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1035 ' ' ARG . . . . . 0.451 ' HA ' HD11 ' A' ' 994' ' ' LEU . 48.1 ttt180 -60.76 -41.43 95.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.03 0.443 . . . . 0.0 110.904 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1036 ' ' THR . . . . . 0.534 HG22 ' HE2' ' A' 1040 ' ' LYS . 13.7 m -77.16 -32.22 56.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.28 0.562 . . . . 0.0 110.246 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.13 -53.08 55.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.132 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1038 ' ' ALA . . . . . 0.45 ' HA ' HD21 ' A' ' 917' ' ' LEU . . . -65.61 -31.63 72.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.693 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -59.84 -50.07 75.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.289 177.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1040 ' ' LYS . . . . . 0.534 ' HE2' HG22 ' A' 1036 ' ' THR . 68.7 mttm -67.81 -33.17 74.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.247 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1041 ' ' ALA . . . . . 0.484 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -77.32 -22.86 51.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.705 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -88.96 -61.84 1.62 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.319 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -90.73 -21.8 21.41 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 -176.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.216 0 O-C-N 123.523 0.514 . . . . 0.0 111.8 -178.86 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 908' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 908' ' ' ILE . 16.8 mt 61.9 31.45 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 122.045 0.926 . . . . 0.0 109.755 -177.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -174.75 89.22 0.32 Allowed Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.343 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -78.95 4.48 6.47 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.968 2.446 . . . . 0.0 113.435 -172.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -120.19 147.33 45.06 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.572 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 912' ' ' THR . . . . . 0.511 ' OG1' HG22 ' A' ' 914' ' ' VAL . 0.1 OUTLIER -66.2 157.89 30.24 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 173.675 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 5.5 mp -76.87 -11.57 59.84 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.967 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 914' ' ' VAL . . . . . 0.566 HG21 ' HB2' ' A' ' 983' ' ' GLN . 25.3 m -80.88 -8.11 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.257 175.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.95 -35.89 82.17 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 174.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -63.81 -40.74 97.36 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.713 173.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 917' ' ' LEU . . . . . 0.741 ' HB3' HD22 ' A' ' 986' ' ' LEU . 47.1 mt -61.13 -42.32 98.32 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.217 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 70.4 mt-10 -53.71 -49.73 67.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.04 0.448 . . . . 0.0 110.583 176.291 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -68.56 -45.95 70.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.734 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -67.51 -39.31 85.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.63 -177.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.76 83.17 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.381 -0.128 . . . . 0.0 111.195 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 922' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 97.8 mttt -62.83 -48.03 80.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.682 0.277 . . . . 0.0 110.641 177.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -71.29 -34.53 70.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.752 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -64.65 -46.65 81.61 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 925' ' ' ALA . . . . . 0.623 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -58.17 -44.1 87.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.298 176.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.59 -57.77 9.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.241 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 62.5 m -57.67 -36.64 72.2 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.407 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 928' ' ' ALA . . . . . 0.536 ' O ' HG13 ' A' ' 932' ' ' ILE . . . -60.24 -43.54 95.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.167 175.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 28.2 m -60.4 -49.35 77.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.756 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -58.88 -37.45 76.58 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.714 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 13.9 m -68.48 -42.64 78.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.797 0.332 . . . . 0.0 110.332 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 928' ' ' ALA . 77.4 mt -62.38 -41.58 92.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.04 0.448 . . . . 0.0 110.186 177.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -61.39 -47.53 85.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.713 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.29 90.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.14 84.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.097 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -76.15 -36.14 58.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -69.27 -37.88 78.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 938' ' ' ALA . . . . . 0.519 ' HB1' HD13 ' A' 1011 ' ' ILE . . . -77.96 -26.54 48.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.196 175.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . 63.21 93.51 0.05 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.512 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 950' ' ' PRO . 19.5 m -86.24 86.2 7.34 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.795 179.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -116.84 144.53 33.6 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.628 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 942' ' ' PRO . . . . . 0.714 ' HB3' ' HG2' ' A' ' 948' ' ' PRO . 52.6 Cg_exo -55.63 152.27 34.94 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.742 2.294 . . . . 0.0 111.914 177.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -80.36 7.45 9.61 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.994 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -126.32 165.14 19.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.592 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 70.2 m -68.99 -30.31 68.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.737 0.303 . . . . 0.0 111.161 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -153.39 172.58 16.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.295 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 115.03 -100.14 0.96 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.27 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.714 ' HG2' ' HB3' ' A' ' 942' ' ' PRO . 29.8 Cg_endo -63.14 157.8 47.47 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.734 2.289 . . . . 0.0 112.531 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -102.15 147.0 33.31 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.037 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 950' ' ' PRO . . . . . 0.46 ' HB3' ' O ' ' A' ' 940' ' ' SER . 51.8 Cg_exo -53.79 -33.19 69.71 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.186 2.59 . . . . 0.0 112.721 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 1.4 tm? 74.26 -55.99 0.65 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.667 0.787 . . . . 0.0 110.83 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 952' ' ' LEU . . . . . 0.581 ' HA ' ' HB1' ' A' 1003 ' ' ALA . 1.6 tt -61.8 -45.99 91.47 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 177.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 953' ' ' VAL . . . . . 0.746 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 66.8 t -60.67 -38.08 77.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.918 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -60.95 -39.96 91.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.302 0.573 . . . . 0.0 110.018 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 955' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 959' ' ' VAL . 15.9 m -76.88 -43.04 37.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.259 -177.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 956' ' ' CYS . . . . . 0.746 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 32.1 p -65.57 -37.8 87.73 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 121.303 -0.159 . . . . 0.0 111.069 -176.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -63.31 -37.14 86.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.688 0.28 . . . . 0.0 110.636 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 958' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -68.25 -41.08 81.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.961 0.41 . . . . 0.0 110.449 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 963' ' ' ILE . 81.3 t -66.81 -40.13 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.925 178.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -59.8 -25.44 64.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.636 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -84.58 -22.08 30.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.826 0.346 . . . . 0.0 110.786 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 962' ' ' GLN . . . . . 0.581 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 11.8 mm100 -85.71 -25.58 26.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.743 -178.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.693 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 78.9 mt -54.04 -53.24 60.69 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.839 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.693 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 36.6 Cg_exo -59.08 -33.19 98.46 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.0 1.8 . . . . 0.0 112.114 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.62 -37.55 85.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.883 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 970' ' ' VAL . 72.6 mt -59.07 -58.67 7.61 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.965 173.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 38.3 t -62.17 -34.13 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.079 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -58.58 -45.46 89.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.93 -41.73 93.17 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.029 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 966' ' ' LEU . 46.3 t -56.55 -51.14 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 121.063 0.459 . . . . 0.0 110.196 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -64.4 -28.22 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.971 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -66.92 -42.87 92.54 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.689 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 32.7 t -68.02 -36.07 79.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.086 0.469 . . . . 0.0 109.897 176.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 51.2 mt-30 -70.97 -21.71 62.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 177.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -69.64 -60.27 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.134 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -140.2 91.75 9.84 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.952 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.86 -13.5 36.93 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.657 2.238 . . . . 0.0 111.364 176.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -81.71 -5.6 58.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.396 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 30.6 t -108.56 109.33 61.41 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.665 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.602 ' HA ' ' HG2' ' A' ' 983' ' ' GLN . 21.6 Cg_exo -65.64 -21.29 59.34 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.591 2.194 . . . . 0.0 111.223 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 14.6 m -73.84 -34.15 64.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.205 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -76.42 -45.72 30.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.027 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 983' ' ' GLN . . . . . 0.602 ' HG2' ' HA ' ' A' ' 980' ' ' PRO . 11.5 pt20 -65.5 -25.4 67.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.698 -177.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 984' ' ' LEU . . . . . 0.712 HD22 HD12 ' A' ' 987' ' ' ILE . 0.2 OUTLIER -57.51 -33.6 68.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.501 178.092 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -65.54 -24.26 67.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.037 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 986' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 917' ' ' LEU . 1.2 tt -81.35 -43.67 18.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 987' ' ' ILE . . . . . 0.712 HD12 HD22 ' A' ' 984' ' ' LEU . 62.8 mt -57.88 -50.66 77.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.614 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.08 97.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.788 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.83 95.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.23 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.616 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 37.1 m -58.81 -49.97 75.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.997 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 991' ' ' GLN . . . . . 0.641 ' HA ' HD12 ' A' ' 994' ' ' LEU . 77.3 mt-30 -67.31 -37.85 84.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.056 0.455 . . . . 0.0 110.682 -178.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 22.7 t -71.41 -16.24 62.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.786 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.412 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 86.6 t80 -90.04 -32.6 16.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.345 177.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 991' ' ' GLN . 79.0 mt -56.09 -42.95 77.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.244 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.87 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 48.5 tp60 -59.38 -60.79 9.41 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.906 -175.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.87 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 10.3 Cg_exo -72.23 -32.3 10.71 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.91 1.74 . . . . 0.0 112.016 178.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.425 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.09 -48.59 82.11 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.246 -178.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.06 -33.71 86.6 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.986 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -67.2 -32.62 73.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.535 0.207 . . . . 0.0 111.095 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1000 ' ' MET . . . . . 0.432 ' HG3' ' HA ' ' A' ' 956' ' ' CYS . 8.4 tmm? -78.41 -33.44 48.66 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 997' ' ' GLY . 98.7 t -57.62 -48.32 83.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.761 172.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.05 -45.99 83.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.828 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1003 ' ' ALA . . . . . 0.581 ' HB1' ' HA ' ' A' ' 952' ' ' LEU . . . -58.47 -41.92 86.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.17 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.47 -53.67 55.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.795 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.39 -38.13 82.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.598 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -71.98 -24.8 61.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.494 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 41.0 m -86.91 -21.57 26.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.083 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' 1004 ' ' ALA . 94.8 t -50.48 -56.67 16.92 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1009 ' ' PRO . . . . . 0.456 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 43.1 Cg_endo -68.4 -20.82 41.64 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.922 1.748 . . . . 0.0 113.185 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 47.2 p -87.12 -11.88 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.357 . . . . 0.0 111.674 -177.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.519 HD13 ' HB1' ' A' ' 938' ' ' ALA . 84.3 mt -94.58 137.15 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -83.85 -27.86 28.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.36 -174.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 12.6 t70 -75.84 94.23 3.3 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -66.75 -28.98 68.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.621 -172.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -62.29 -51.32 68.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.975 0.417 . . . . 0.0 110.49 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 16.5 m -72.09 -32.32 66.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.675 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.408 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -62.55 -47.79 82.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 94.5 mmm -67.7 -22.49 65.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 111.013 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -66.48 -36.53 82.97 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 20.1 mt -64.85 -45.25 86.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.753 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -38.19 69.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.076 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 59.3 tp60 -73.55 -49.49 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 83.2 m -61.56 -43.14 99.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1024 ' ' ALA . . . . . 0.414 ' HB1' HG13 ' A' 1001 ' ' VAL . . . -61.29 -31.57 71.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.121 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -68.96 -49.03 61.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -61.93 -44.58 96.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.654 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1027 ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' 1031 ' ' LEU . 54.7 tp -63.98 -39.68 94.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.442 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.67 98.49 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.3 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 22.4 m -71.59 -33.65 69.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.044 0.45 . . . . 0.0 110.375 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.21 -49.56 76.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.022 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1031 ' ' LEU . . . . . 0.518 HD22 HD23 ' A' ' 994' ' ' LEU . 95.6 mt -62.51 -34.23 76.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.797 177.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.58 -55.15 37.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.4 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.14 -27.46 48.19 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.901 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.01 -46.65 89.91 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -65.67 -36.02 82.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.735 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 41.1 m -67.32 -48.87 66.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.1 85.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.18 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1038 ' ' ALA . . . . . 0.453 ' HA ' HD11 ' A' ' 917' ' ' LEU . . . -59.47 -39.26 83.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.283 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1039 ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' 1043 ' ' GLU . 53.4 tt0 -59.96 -52.56 64.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 -178.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -72.98 -33.74 66.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.128 -177.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1041 ' ' ALA . . . . . 0.495 ' HB1' HG12 ' A' ' 914' ' ' VAL . . . -68.72 -29.74 68.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.149 0.499 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1042 ' ' GLN . . . . . 0.595 ' HA ' HD13 ' A' ' 987' ' ' ILE . 63.4 tt0 -70.66 -16.77 62.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.772 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1043 ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' 1039 ' ' GLN . 40.2 mt-10 -90.65 -16.22 29.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.666 -178.111 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.872 0 N-CA-C 111.855 -0.498 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 41.5 mt 52.97 75.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.496 0.665 . . . . 0.0 110.107 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -150.03 155.85 37.75 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.134 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.62 14.27 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.922 2.415 . . . . 0.0 113.904 -176.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 911' ' ' PHE . . . . . 0.8 ' HD1' HG23 ' A' ' 912' ' ' THR . 7.6 p90 -135.93 -165.0 1.63 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.869 -178.087 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 912' ' ' THR . . . . . 0.8 HG23 ' HD1' ' A' ' 911' ' ' PHE . 71.4 p 68.08 174.08 0.27 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.911 1.285 . . . . 0.0 112.83 177.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 912' ' ' THR . 79.9 mt 71.54 -55.31 0.66 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.587 -170.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 914' ' ' VAL . . . . . 0.486 HG11 ' HG3' ' A' ' 983' ' ' GLN . 32.8 m -79.75 -27.76 12.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.465 175.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.85 -46.99 82.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.745 176.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -63.57 -43.75 96.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.773 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 917' ' ' LEU . . . . . 0.613 ' HG ' HD22 ' A' ' 986' ' ' LEU . 25.4 tp -58.19 -45.6 87.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.942 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -53.12 -57.77 9.3 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.998 0.427 . . . . 0.0 111.169 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -65.57 -41.28 93.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.181 -175.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -62.58 -45.1 94.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.153 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.17 84.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.28 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 922' ' ' LYS . . . . . 0.429 ' HG3' HG11 ' A' ' 970' ' ' VAL . 53.2 mtmt -65.38 -40.09 93.06 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -74.32 -30.67 62.15 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.331 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -67.02 -47.23 72.08 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 925' ' ' ALA . . . . . 0.607 ' HB2' HD23 ' A' ' 966' ' ' LEU . . . -59.68 -41.19 90.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.591 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 926' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 930' ' ' GLN . . . -65.27 -51.51 60.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.979 178.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 26.3 t -61.03 -37.22 81.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.486 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 928' ' ' ALA . . . . . 0.456 ' O ' HG13 ' A' ' 932' ' ' ILE . . . -60.82 -45.22 95.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.081 175.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 52.8 m -59.35 -43.52 92.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.525 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 930' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 926' ' ' ALA . 84.9 mm-40 -62.2 -39.84 94.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.572 177.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 931' ' ' THR . . . . . 0.492 ' HB ' ' HE1' ' A' 1000 ' ' MET . 15.9 m -69.03 -40.38 78.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.583 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 928' ' ' ALA . 70.3 mt -61.03 -50.58 79.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.36 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -58.73 -43.07 90.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.76 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.62 95.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.596 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.92 97.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.145 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 936' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 97.2 mt-30 -62.33 -41.06 98.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.956 0.408 . . . . 0.0 110.93 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -81.44 -9.74 59.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 938' ' ' ALA . . . . . 0.588 ' HB1' HD13 ' A' 1011 ' ' ILE . . . -102.68 14.05 32.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.024 0.44 . . . . 0.0 110.618 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -76.92 39.95 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.608 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 5.6 p -94.2 5.96 50.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.126 0.488 . . . . 0.0 110.484 178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 941' ' ' ALA . . . . . 0.728 ' HB2' ' HA ' ' A' 1011 ' ' ILE . . . -82.41 154.69 69.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.965 177.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 942' ' ' PRO . . . . . 0.766 ' HG2' ' HB3' ' A' ' 945' ' ' SER . 19.2 Cg_endo -61.25 147.29 95.98 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.165 1.91 . . . . 0.0 111.613 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 943' ' ' LYS . . . . . 0.733 ' HD3' ' H ' ' A' ' 943' ' ' LYS . 0.0 OUTLIER -65.32 -16.12 63.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.989 -179.285 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -117.65 80.86 1.57 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.111 0.481 . . . . 0.0 109.714 172.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 945' ' ' SER . . . . . 0.766 ' HB3' ' HG2' ' A' ' 942' ' ' PRO . 8.0 p -126.51 103.51 7.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.27 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . 64.84 15.17 9.7 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.857 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 154.42 162.73 11.37 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.649 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -73.75 112.87 3.64 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.959 2.439 . . . . 0.0 111.937 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 73.71 118.24 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.282 0 O-C-N 124.122 0.889 . . . . 0.0 110.722 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -48.03 131.01 20.95 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.25 2.633 . . . . 0.0 112.379 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 10.0 mt -73.36 -8.85 57.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 952' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' 1004 ' ' ALA . 58.9 mt -57.83 -46.1 85.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.814 171.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.62 -50.6 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.106 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -59.14 -47.04 86.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.024 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 955' ' ' SER . . . . . 0.473 ' O ' HG23 ' A' ' 959' ' ' VAL . 17.5 m -65.85 -49.79 66.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.9 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 88.4 m -59.51 -37.78 79.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.717 0.294 . . . . 0.0 111.25 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -62.8 -47.32 83.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.641 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -66.23 -41.64 89.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.196 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 963' ' ' ILE . 87.7 t -65.16 -41.56 92.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.718 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.97 -21.37 63.44 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.577 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.5 -31.27 21.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 962' ' ' GLN . . . . . 0.749 ' HG3' ' HG3' ' A' ' 996' ' ' PRO . 15.9 mm-40 -87.1 -28.36 22.56 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -176.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.682 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 72.6 mt -52.23 -53.94 47.07 Favored Pre-proline 0 N--CA 1.468 0.439 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.682 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 51.5 Cg_exo -55.25 -42.03 72.61 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.172 1.915 . . . . 0.0 112.37 178.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 91.8 mt -69.69 -35.55 75.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.014 0.435 . . . . 0.0 110.293 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 925' ' ' ALA . 51.2 tp -63.67 -51.77 63.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.096 175.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.18 -39.35 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.051 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -62.19 -38.68 90.03 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 174.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -61.08 -49.15 81.54 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.626 174.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.602 ' HA ' ' HG ' ' A' ' 986' ' ' LEU . 48.8 t -55.07 -55.03 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.007 0.432 . . . . 0.0 110.766 178.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -67.31 -27.78 67.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.182 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -66.56 -40.01 94.07 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.761 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 973' ' ' SER . . . . . 0.617 ' OG ' ' HB2' ' A' ' 986' ' ' LEU . 17.5 m -70.92 -32.54 69.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 0.0 110.451 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 96.0 mt-30 -67.63 -35.76 79.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.81 99.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.069 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -133.11 75.45 71.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.318 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.59 2.03 6.84 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.8 2.333 . . . . 0.0 113.568 -172.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -115.48 0.63 13.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.983 0.42 . . . . 0.0 110.576 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 980' ' ' PRO . 50.0 m -105.66 122.84 41.3 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.185 -174.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 979' ' ' SER . 47.3 Cg_exo -56.52 -36.7 97.95 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.212 2.608 . . . . 0.0 113.169 -177.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 23.2 t -64.94 -34.22 77.91 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.035 0.445 . . . . 0.0 110.316 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 982' ' ' ALA . . . . . 0.502 ' HB1' ' HA ' ' A' ' 973' ' ' SER . . . -73.8 -42.9 60.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.153 177.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 983' ' ' GLN . . . . . 0.486 ' HG3' HG11 ' A' ' 914' ' ' VAL . 0.0 OUTLIER -55.16 -51.59 66.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.146 177.541 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 984' ' ' LEU . . . . . 0.49 HD13 HD12 ' A' ' 987' ' ' ILE . 4.4 mm? -65.83 -23.26 66.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.751 -177.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.65 99.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.465 178.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 986' ' ' LEU . . . . . 0.617 ' HB2' ' OG ' ' A' ' 973' ' ' SER . 0.6 OUTLIER -71.4 -44.01 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.892 177.644 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 987' ' ' ILE . . . . . 0.49 HD12 HD13 ' A' ' 984' ' ' LEU . 67.1 mt -57.74 -48.22 84.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.066 -178.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.69 88.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 989' ' ' ALA . . . . . 0.439 ' HB1' ' HA ' ' A' ' 966' ' ' LEU . . . -61.79 -40.94 96.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.291 -178.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.583 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 50.3 m -60.92 -50.18 74.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 991' ' ' GLN . . . . . 0.689 ' HA ' HD12 ' A' ' 994' ' ' LEU . 51.2 mt-30 -64.88 -39.99 94.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.827 -178.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 49.3 m -65.09 -35.4 81.02 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.905 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -71.14 -29.54 65.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.706 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 991' ' ' GLN . 84.2 mt -59.62 -36.61 76.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.089 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.613 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 53.0 tt0 -57.17 -63.36 3.76 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.151 -176.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.749 ' HG3' ' HG3' ' A' ' 962' ' ' GLN . 72.5 Cg_endo -76.25 -27.04 8.41 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.575 1.516 . . . . 0.0 112.213 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.37 -49.71 75.62 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.942 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.74 -30.3 74.54 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.204 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 999' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 63.4 mttm -62.79 -43.59 98.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.668 0.271 . . . . 0.0 110.679 178.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1000 ' ' MET . . . . . 0.492 ' HE1' ' HB ' ' A' ' 931' ' ' THR . 43.4 ttp -72.94 -30.26 63.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.349 -177.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 997' ' ' GLY . 65.7 t -61.24 -46.66 96.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.14 0.495 . . . . 0.0 109.987 174.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -68.54 -45.07 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.77 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.05 92.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.041 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.636 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.11 -52.09 67.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.64 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -60.45 -38.67 84.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.244 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -81.65 -19.53 41.51 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -175.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1007 ' ' SER . . . . . 0.489 ' O ' HG13 ' A' 1011 ' ' ILE . 8.7 t -88.6 -20.85 24.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.809 0.337 . . . . 0.0 110.465 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.835 HG13 ' HB1' ' A' 1017 ' ' ALA . 54.3 t -50.3 -53.14 47.82 Favored Pre-proline 0 CA--C 1.545 0.771 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.076 177.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.31 -16.98 24.58 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.965 1.777 . . . . 0.0 113.896 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1010 ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' ' 945' ' ' SER . 35.2 p -90.88 -31.29 16.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 111.46 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.728 ' HA ' ' HB2' ' A' ' 941' ' ' ALA . 87.0 mt -62.31 -45.51 98.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.051 0.453 . . . . 0.0 110.687 177.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 60.11 28.16 17.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.935 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1013 ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' 1014 ' ' GLN . 17.6 t70 -95.5 -14.64 23.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.378 0.609 . . . . 0.0 110.07 177.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.523 ' O ' ' HG3' ' A' 1018 ' ' MET . 75.2 mt-30 69.52 -71.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.341 -177.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -59.91 -53.59 56.13 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -173.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 15.0 m -63.16 -35.64 80.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.193 0.521 . . . . 0.0 110.657 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.835 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -69.3 -36.34 76.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.367 -178.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1018 ' ' MET . . . . . 0.523 ' HG3' ' O ' ' A' 1014 ' ' GLN . 67.6 mtt -65.51 -32.28 73.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.052 0.453 . . . . 0.0 110.232 177.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -65.55 -43.36 90.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.802 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.06 -45.26 91.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.261 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 12.6 t -61.87 -37.95 86.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.697 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -68.07 -44.75 75.61 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.929 0.395 . . . . 0.0 110.652 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1023 ' ' CYS . . . . . 0.412 ' HB3' ' OG1' ' A' ' 931' ' ' THR . 70.3 m -64.3 -45.41 88.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -178.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.9 -29.71 70.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.963 0.411 . . . . 0.0 111.125 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -61.9 -48.87 78.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.153 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -70.33 -52.14 24.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.979 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1027 ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' 1031 ' ' LEU . 55.3 tp -56.98 -44.89 83.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.37 -176.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -57.82 -46.27 92.55 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.786 -178.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 10.5 m -80.08 -25.8 39.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.878 0.371 . . . . 0.0 111.183 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -64.45 -45.31 88.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1031 ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' 1027 ' ' LEU . 89.4 mt -66.39 -31.86 72.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.756 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.23 -55.7 31.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.577 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -81.68 -17.47 47.86 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.913 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.19 -42.66 99.49 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -62.74 -42.84 99.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.351 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 17.4 m -62.06 -45.01 95.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.195 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -66.72 -43.84 83.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.16 77.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.977 0.418 . . . . 0.0 110.671 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.82 -57.35 13.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.34 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1040 ' ' LYS . . . . . 0.498 ' HA ' ' HG2' ' A' 1043 ' ' GLU . 86.1 mttt -63.15 -32.69 74.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.446 -176.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -69.01 -30.14 68.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -78.05 -40.03 40.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.689 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1043 ' ' GLU . . . . . 0.498 ' HG2' ' HA ' ' A' 1040 ' ' LYS . 5.1 pt-20 -76.88 -8.22 56.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.448 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.666 -0.683 . . . . 0.0 110.667 179.81 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.981 -0.448 . . . . 0.0 111.981 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 62.8 mt 69.3 99.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 121.078 0.466 . . . . 0.0 110.574 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -93.54 121.27 65.22 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.75 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -75.31 88.5 1.26 Allowed 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.604 2.203 . . . . 0.0 112.382 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -76.65 -80.85 0.09 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 174.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 912' ' ' THR . . . . . 0.526 ' OG1' ' HG2' ' A' ' 915' ' ' GLN . 75.2 p -137.66 175.16 9.84 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 173.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 82.2 mt -78.26 -24.58 46.81 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.073 0.463 . . . . 0.0 109.857 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 20.0 m -87.58 -27.39 5.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.986 -177.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 915' ' ' GLN . . . . . 0.526 ' HG2' ' OG1' ' A' ' 912' ' ' THR . 8.1 mm100 -68.45 -41.84 79.66 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.144 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -67.56 -27.68 67.15 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.64 -52.09 35.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.112 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -53.81 -40.15 66.1 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 176.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -62.11 -50.38 72.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.277 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -67.45 -42.66 82.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.2 -179.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -58.74 -48.07 82.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -67.57 -42.39 82.64 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.351 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -73.64 -29.14 62.16 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.746 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.46 83.25 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.73 81.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.316 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -64.56 -52.27 58.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.194 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 60.2 m -63.03 -35.79 81.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.861 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 928' ' ' ALA . . . . . 0.562 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -59.87 -49.66 76.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.183 175.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 25.3 m -57.46 -43.21 83.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.623 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -60.74 -47.84 84.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.617 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 931' ' ' THR . . . . . 0.411 ' OG1' ' HB3' ' A' 1023 ' ' CYS . 19.0 m -62.78 -42.06 99.53 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.87 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.62 HD12 HD11 ' A' ' 963' ' ' ILE . 72.1 mt -65.25 -45.27 94.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.719 0.295 . . . . 0.0 111.296 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.37 92.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.599 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -66.61 -40.4 88.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.494 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.497 ' HB1' ' HG ' ' A' ' 952' ' ' LEU . . . -56.87 -56.67 18.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.527 -178.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -71.08 -18.17 62.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.88 -175.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -87.22 -35.44 18.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.776 0.322 . . . . 0.0 110.68 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 938' ' ' ALA . . . . . 0.707 ' HB2' ' HB3' ' A' 1016 ' ' SER . . . -87.5 -39.17 15.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.927 -175.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 939' ' ' ALA . . . . . 0.642 ' HB1' ' HG2' ' A' ' 950' ' ' PRO . . . -70.14 -18.61 63.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.982 0.42 . . . . 0.0 111.367 -177.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 70.3 m -81.77 78.14 8.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.243 0.544 . . . . 0.0 110.871 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -99.38 110.12 57.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.755 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 942' ' ' PRO . . . . . 0.649 ' HA ' ' O ' ' A' ' 946' ' ' ALA . 38.8 Cg_exo -59.22 112.49 1.25 Allowed 'Trans proline' 0 CA--C 1.511 -0.628 0 C-N-CA 122.703 2.268 . . . . 0.0 112.279 -177.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -167.81 115.12 0.73 Allowed 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.016 -175.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . 53.85 84.78 0.06 Allowed 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.912 0.758 . . . . 0.0 112.163 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 16.8 t 64.21 84.2 0.15 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.736 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.649 ' O ' ' HA ' ' A' ' 942' ' ' PRO . . . 70.13 -72.54 0.11 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.927 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 172.97 -169.11 42.26 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.524 ' O ' ' HD3' ' A' ' 950' ' ' PRO . 92.8 Cg_endo -82.36 166.02 16.23 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.538 2.158 . . . . 0.0 112.662 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -109.77 85.33 3.89 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.644 175.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 950' ' ' PRO . . . . . 0.642 ' HG2' ' HB1' ' A' ' 939' ' ' ALA . 2.6 Cg_endo -81.25 158.51 20.07 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.989 2.46 . . . . 0.0 112.913 -173.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 6.5 mp -72.09 -23.82 61.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.934 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 952' ' ' LEU . . . . . 0.497 ' HG ' ' HB1' ' A' ' 935' ' ' ALA . 42.0 tp -55.63 -45.6 77.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.109 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 953' ' ' VAL . . . . . 0.73 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 53.2 t -65.25 -39.57 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -60.39 -41.09 93.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 48.8 m -72.09 -47.44 51.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.183 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 956' ' ' CYS . . . . . 0.73 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 22.3 p -65.61 -25.91 67.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.982 0.42 . . . . 0.0 110.652 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 953' ' ' VAL . 19.6 tptp -62.64 -46.14 89.6 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.929 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -66.47 -52.29 47.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.409 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 963' ' ' ILE . 60.7 t -55.35 -39.25 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.365 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -58.44 -27.1 64.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.528 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -81.64 -35.25 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.88 0.372 . . . . 0.0 110.75 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 962' ' ' GLN . . . . . 0.532 ' HA ' HD12 ' A' ' 965' ' ' LEU . 1.8 mp0 -76.51 -17.95 58.99 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.62 HD11 HD12 ' A' ' 932' ' ' ILE . 72.3 mt -56.31 -57.0 25.57 Favored Pre-proline 0 N--CA 1.47 0.543 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.6 Cg_endo -60.1 -31.81 93.84 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.987 1.791 . . . . 0.0 111.917 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 965' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 962' ' ' GLN . 97.9 mt -63.0 -42.47 99.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.537 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 970' ' ' VAL . 57.9 mt -60.0 -59.28 5.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.617 175.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 967' ' ' VAL . . . . . 0.489 ' O ' ' HG2' ' A' ' 971' ' ' ARG . 52.2 t -60.63 -42.74 92.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.749 -173.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -69.73 -30.29 67.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.627 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.24 -42.21 97.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.462 -0.875 . . . . 0.0 110.933 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 966' ' ' LEU . 41.3 t -60.83 -42.62 93.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.949 0.404 . . . . 0.0 109.913 174.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 971' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 967' ' ' VAL . 27.5 mmt180 -60.62 -37.57 81.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -65.98 -40.36 95.24 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.599 175.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 973' ' ' SER . . . . . 0.422 ' HB2' HD12 ' A' ' 986' ' ' LEU . 47.4 t -62.57 -43.33 99.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.861 0.362 . . . . 0.0 110.77 177.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 87.3 mt-30 -65.3 -22.81 66.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -78.47 -47.16 18.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.494 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -134.36 88.82 29.04 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.609 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.584 ' HA ' ' NE2' ' A' ' 983' ' ' GLN . 48.1 Cg_endo -69.75 -23.47 30.79 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.991 2.46 . . . . 0.0 113.002 -177.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -93.52 -35.14 13.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.65 0.262 . . . . 0.0 110.899 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.441 ' HA ' ' HD2' ' A' ' 980' ' ' PRO . 46.6 t -67.82 119.13 64.26 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.997 0.427 . . . . 0.0 111.192 -176.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 979' ' ' SER . 24.7 Cg_endo -62.61 -29.37 77.89 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.869 2.38 . . . . 0.0 111.546 176.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 3.9 m -61.95 -35.9 79.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.766 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -81.38 -42.71 20.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.68 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 983' ' ' GLN . . . . . 0.584 ' NE2' ' HA ' ' A' ' 977' ' ' PRO . 81.1 mm-40 -63.82 -39.73 94.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.272 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 984' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 980' ' ' PRO . 15.2 tp -57.2 -32.9 66.95 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.328 -177.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.72 99.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 986' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 973' ' ' SER . 0.7 OUTLIER -70.39 -47.37 61.16 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.354 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 987' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' A' 1042 ' ' GLN . 78.5 mt -57.28 -46.64 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.09 -178.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.92 82.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.855 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.02 84.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.976 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.641 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 44.1 m -60.74 -46.98 88.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.804 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 991' ' ' GLN . . . . . 0.576 ' HA ' HD12 ' A' ' 994' ' ' LEU . 47.0 mt-30 -66.42 -38.73 88.11 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.069 0.462 . . . . 0.0 110.817 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 29.0 t -74.87 -6.72 50.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.58 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.562 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 91.6 t80 -98.12 -29.95 12.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 109.974 176.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 990' ' ' SER . 81.2 mt -58.42 -42.44 87.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.268 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.807 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 24.0 tp60 -63.48 -60.0 10.46 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.03 -177.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.807 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 18.5 Cg_exo -66.97 -39.97 12.91 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.025 1.817 . . . . 0.0 111.976 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' 1001 ' ' VAL . . . -61.92 -43.47 99.14 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.348 -178.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.68 -37.86 94.17 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.058 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -70.97 -29.03 64.91 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.399 -0.12 . . . . 0.0 111.191 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1000 ' ' MET . . . . . 0.588 ' SD ' ' HA ' ' A' ' 956' ' ' CYS . 50.3 ttp -72.96 -33.59 65.98 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 997' ' ' GLY . 75.9 t -60.52 -47.64 91.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.77 174.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -62.57 -51.56 66.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.964 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -60.98 -38.99 87.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.61 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' 1008 ' ' VAL . . . -62.96 -53.23 57.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.737 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.29 -35.1 76.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.379 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -76.65 -20.6 56.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.102 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1007 ' ' SER . . . . . 0.444 ' O ' HG13 ' A' 1011 ' ' ILE . 24.9 t -87.95 -23.29 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.494 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' 1004 ' ' ALA . 77.5 t -51.1 -50.65 74.12 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1009 ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' 1008 ' ' VAL . 36.0 Cg_endo -67.05 -24.78 44.72 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.921 1.747 . . . . 0.0 113.272 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 74.6 p -84.1 -5.1 59.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.37 0.605 . . . . 0.0 110.603 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.673 HD13 ' HB1' ' A' ' 938' ' ' ALA . 86.5 mt -99.5 133.39 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.661 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -111.56 23.25 14.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.236 0.541 . . . . 0.0 110.945 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1013 ' ' ASP . . . . . 0.643 ' H ' HG22 ' A' 1011 ' ' ILE . 31.6 t70 -111.4 109.54 19.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.124 170.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -55.78 -44.63 77.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.159 -173.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.59 73.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.731 0.301 . . . . 0.0 111.193 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1016 ' ' SER . . . . . 0.707 ' HB3' ' HB2' ' A' ' 938' ' ' ALA . 22.6 m -66.49 -41.33 89.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.085 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.49 -49.99 74.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.273 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1018 ' ' MET . . . . . 0.431 ' HA ' ' CE ' ' A' 1018 ' ' MET . 20.5 mmt -68.15 -36.32 79.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.667 -178.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -59.47 -50.51 73.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.343 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.01 -42.13 93.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.297 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 38.0 m -59.13 -42.8 91.49 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.836 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.96 -46.96 40.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.615 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1023 ' ' CYS . . . . . 0.411 ' HB3' ' OG1' ' A' ' 931' ' ' THR . 84.5 m -57.71 -50.82 71.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.266 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.26 77.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.869 0.366 . . . . 0.0 111.001 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -63.89 -45.82 87.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.179 0.514 . . . . 0.0 110.392 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -72.8 -37.61 67.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.492 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1027 ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' 1031 ' ' LEU . 55.8 tp -59.72 -38.11 80.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.52 177.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.0 -46.59 93.5 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.318 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 37.1 m -72.17 -33.81 67.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.892 0.377 . . . . 0.0 110.774 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -57.55 -46.2 84.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.825 175.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1031 ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' 1027 ' ' LEU . 96.3 mt -65.59 -34.6 78.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.764 176.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -59.71 -59.22 5.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.453 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -76.76 -19.46 57.6 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.554 -0.459 . . . . 0.0 111.193 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.61 -50.06 68.66 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 172.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -62.1 -42.02 98.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.088 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 38.4 m -59.57 -45.87 90.59 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.079 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -68.68 -50.73 48.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.068 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -56.75 -44.44 81.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.414 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -55.93 -54.07 49.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.995 0.426 . . . . 0.0 111.411 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -73.84 -15.81 61.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.86 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -91.25 -30.72 16.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.926 0.394 . . . . 0.0 110.693 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1042 ' ' GLN . . . . . 0.452 ' HA ' HD13 ' A' ' 987' ' ' ILE . 63.8 tt0 -62.89 -41.88 99.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.873 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -91.07 8.11 37.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.494 -177.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.71 -178.552 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 908' ' ' ILE . . . . . 0.424 ' N ' HD13 ' A' ' 908' ' ' ILE . 0.2 OUTLIER -131.73 136.73 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.212 0.529 . . . . 0.0 110.561 178.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -107.43 129.34 24.4 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.62 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -80.51 12.83 2.43 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.872 2.381 . . . . 0.0 113.229 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 53.38 97.79 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.193 0.997 . . . . 0.0 111.941 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 912' ' ' THR . . . . . 0.531 ' O ' ' HG3' ' A' ' 916' ' ' ARG . 21.5 p -63.89 161.36 15.72 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.231 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' A' 1044 ' ' ALA . 89.1 mt -60.66 -43.86 97.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.281 -175.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 914' ' ' VAL . . . . . 0.532 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 35.6 m -70.58 -30.52 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.153 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -63.99 -36.28 83.46 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.482 0.658 . . . . 0.0 110.033 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 916' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 912' ' ' THR . 55.1 mtt180 -68.96 -34.22 74.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.92 177.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 917' ' ' LEU . . . . . 0.551 HD11 ' HA ' ' A' 1038 ' ' ALA . 20.2 mt -62.56 -47.32 84.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.025 174.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 66.0 mt-10 -49.26 -58.02 5.78 Favored 'General case' 0 C--N 1.332 -0.157 0 O-C-N 123.633 0.583 . . . . 0.0 110.64 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -69.25 -34.76 75.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.532 -175.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 920' ' ' ALA . . . . . 0.4 ' HA ' ' HG2' ' A' ' 923' ' ' GLN . . . -70.31 -41.27 73.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.259 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.09 79.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 922' ' ' LYS . . . . . 0.529 ' CG ' HG11 ' A' ' 970' ' ' VAL . 54.6 mtpt -66.44 -46.07 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.772 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 923' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 920' ' ' ALA . 11.2 pt20 -71.13 -31.19 67.42 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.371 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.25 75.33 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 175.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 925' ' ' ALA . . . . . 0.453 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.22 -41.08 87.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.54 176.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.95 -53.94 42.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.985 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 39.5 m -60.6 -36.1 77.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.87 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 928' ' ' ALA . . . . . 0.621 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -62.23 -48.52 79.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.274 176.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 26.6 m -59.57 -42.06 91.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.475 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -63.28 -44.37 95.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 26.6 m -65.4 -40.88 93.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.356 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.601 HG23 ' SG ' ' A' ' 956' ' ' CYS . 45.6 mt -58.3 -49.39 82.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.61 175.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -57.41 -42.78 82.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.189 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -71.64 -36.31 70.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.935 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 939' ' ' ALA . . . -64.7 -35.77 82.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.699 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 936' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 13.4 pt20 -101.66 23.67 10.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.758 0.313 . . . . 0.0 111.343 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -141.26 -67.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.014 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 938' ' ' ALA . . . . . 0.767 ' HB1' ' HB3' ' A' 1016 ' ' SER . . . -83.56 -30.66 26.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.45 -175.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 939' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 935' ' ' ALA . . . -65.95 98.28 0.41 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.615 0.721 . . . . 0.0 110.983 -178.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.724 ' H ' HG12 ' A' 1011 ' ' ILE . 8.1 t -107.01 164.02 12.49 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.848 176.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 941' ' ' ALA . . . . . 0.697 ' HA ' ' HB ' ' A' 1010 ' ' THR . . . -147.6 149.09 32.91 Favored Pre-proline 0 C--N 1.311 -1.073 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.711 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 942' ' ' PRO . . . . . 0.699 ' HB3' ' HB2' ' A' ' 945' ' ' SER . 49.0 Cg_exo -56.37 102.89 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.573 2.182 . . . . 0.0 111.511 177.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -49.87 -47.52 51.83 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 124.012 0.82 . . . . 0.0 112.602 -173.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -117.15 -25.88 6.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.742 0.306 . . . . 0.0 111.374 -177.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 945' ' ' SER . . . . . 0.699 ' HB2' ' HB3' ' A' ' 942' ' ' PRO . 16.7 m -64.5 -28.6 69.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.828 -177.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -145.56 -50.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 111.076 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 137.67 134.85 3.29 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.778 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.643 ' HA ' ' HB3' ' A' ' 941' ' ' ALA . 87.1 Cg_endo -81.81 179.22 5.83 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.755 2.304 . . . . 0.0 112.251 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 55.02 79.0 0.36 Allowed Pre-proline 0 N--CA 1.466 0.344 0 C-N-CA 123.052 0.541 . . . . 0.0 111.542 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 950' ' ' PRO . . . . . 0.403 ' C ' ' H ' ' A' ' 952' ' ' LEU . 5.2 Cg_exo -79.69 51.39 3.87 Favored 'Trans proline' 0 CA--C 1.529 0.228 0 C-N-CA 123.394 2.73 . . . . 0.0 111.906 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 70.86 -16.89 0.32 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.639 0.776 . . . . 0.0 112.376 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 952' ' ' LEU . . . . . 0.403 ' H ' ' C ' ' A' ' 950' ' ' PRO . 23.9 mt -51.28 -43.3 61.57 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 52.5 t -59.46 -36.63 65.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.062 0.458 . . . . 0.0 110.924 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 954' ' ' GLN . . . . . 0.545 ' HA ' ' HE2' ' A' ' 957' ' ' LYS . 53.2 mm-40 -77.42 -47.45 19.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.318 -177.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 8.7 m -63.06 -37.1 85.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.731 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 956' ' ' CYS . . . . . 0.601 ' SG ' HG23 ' A' ' 932' ' ' ILE . 42.3 t -56.39 -43.68 79.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.073 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.545 ' HE2' ' HA ' ' A' ' 954' ' ' GLN . 52.9 mtmt -61.9 -41.2 97.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.763 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.8 82.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.448 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 963' ' ' ILE . 83.2 t -63.91 -41.49 92.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.81 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -58.5 -27.46 64.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.175 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 41.5 mm-40 -87.2 -22.16 25.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.834 0.349 . . . . 0.0 111.059 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 962' ' ' GLN . . . . . 0.707 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 86.0 mm-40 -90.4 -26.72 19.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.61 -176.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 959' ' ' VAL . 82.6 mt -54.31 -54.11 51.72 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.1 Cg_endo -59.76 -30.98 93.33 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.028 1.818 . . . . 0.0 112.262 178.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.42 -36.55 79.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.591 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 970' ' ' VAL . 87.5 mt -61.18 -60.6 3.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.103 0.478 . . . . 0.0 109.997 173.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 43.6 t -58.5 -41.79 82.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.737 -174.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -60.04 -45.97 91.06 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -62.94 -43.04 99.49 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.04 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 966' ' ' LEU . 61.1 t -56.97 -51.92 62.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.862 0.363 . . . . 0.0 110.605 177.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -60.71 -33.98 73.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.673 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.21 -42.13 99.72 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.877 -0.677 . . . . 0.0 111.898 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 35.8 t -74.15 -39.21 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.788 0.328 . . . . 0.0 110.834 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.2 -25.95 68.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.288 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 975' ' ' ALA . . . . . 0.402 ' O ' ' HD3' ' A' ' 977' ' ' PRO . . . -95.05 -46.91 6.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.919 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 976' ' ' GLN . . . . . 0.485 ' HB3' ' OG ' ' A' ' 979' ' ' SER . 29.4 mt-30 -108.45 96.95 20.59 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.904 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 977' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 975' ' ' ALA . 89.2 Cg_endo -90.79 13.74 2.12 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.764 2.309 . . . . 0.0 114.312 -172.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -143.18 -32.96 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.173 -0.611 . . . . 0.0 112.513 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.485 ' OG ' ' HB3' ' A' ' 976' ' ' GLN . 10.1 p -66.43 116.68 36.48 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.308 . . . . 0.0 111.211 -178.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.97 -33.76 73.95 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.195 2.596 . . . . 0.0 112.998 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 2.5 p -61.24 -24.63 66.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.769 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -80.11 -52.86 7.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.393 . . . . 0.0 110.666 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 983' ' ' GLN . . . . . 0.478 ' O ' HG13 ' A' ' 987' ' ' ILE . 22.2 mp0 -65.48 -44.63 86.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.571 -178.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.97 -24.3 67.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.494 0.188 . . . . 0.0 111.266 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -69.24 -45.85 68.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.067 0.461 . . . . 0.0 109.921 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 986' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 917' ' ' LEU . 4.1 tt -63.77 -50.64 68.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.771 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 987' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 983' ' ' GLN . 71.3 mt -57.83 -44.35 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.245 -177.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.08 85.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.765 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.6 80.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.077 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.579 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.6 m -58.87 -52.08 67.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.878 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 991' ' ' GLN . . . . . 0.661 ' HA ' HD12 ' A' ' 994' ' ' LEU . 70.8 mt-30 -66.4 -37.33 85.01 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.315 0.578 . . . . 0.0 110.257 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 42.7 t -65.26 -25.58 67.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.826 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.621 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 87.3 t80 -87.61 -30.05 20.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 991' ' ' GLN . 98.1 mt -53.11 -48.65 67.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.625 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.743 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.3 tp-100 -62.02 -58.65 16.53 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -177.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 52.4 Cg_exo -57.09 -41.03 79.0 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.123 1.882 . . . . 0.0 112.174 177.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' 1001 ' ' VAL . . . -59.37 -50.41 68.09 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.86 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.65 -35.36 89.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.344 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -63.23 -39.13 93.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.569 0.223 . . . . 0.0 110.863 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 50.2 ttp -76.27 -31.07 58.08 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.126 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 997' ' ' GLY . 99.1 t -60.46 -50.01 82.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.91 0.386 . . . . 0.0 110.007 174.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.71 92.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.977 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.36 90.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.019 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' 1008 ' ' VAL . . . -63.89 -46.66 83.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.739 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.6 mttt -60.68 -33.5 72.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -77.76 -20.62 53.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.066 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1007 ' ' SER . . . . . 0.572 ' O ' HG13 ' A' 1011 ' ' ILE . 36.5 t -92.42 -14.19 28.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.999 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' 1004 ' ' ALA . 73.5 t -56.41 -52.19 75.11 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1009 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' 1008 ' ' VAL . 48.7 Cg_endo -68.92 -18.0 41.22 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 121.758 1.639 . . . . 0.0 113.395 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1010 ' ' THR . . . . . 0.697 ' HB ' ' HA ' ' A' ' 941' ' ' ALA . 49.0 p -85.27 -14.17 47.47 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.024 -178.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.724 HG12 ' H ' ' A' ' 940' ' ' SER . 63.1 mt -77.2 125.07 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.943 176.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -74.67 -31.3 61.88 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -75.26 97.35 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.418 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' 1018 ' ' MET . 76.0 mt-30 -60.56 -39.56 88.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.981 -172.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.66 91.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1016 ' ' SER . . . . . 0.767 ' HB3' ' HB1' ' A' ' 938' ' ' ALA . 37.4 m -68.08 -29.17 68.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.582 ' HA ' HD12 ' A' 1011 ' ' ILE . . . -65.98 -45.12 82.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.074 0.464 . . . . 0.0 110.211 175.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1018 ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' 1014 ' ' GLN . 64.3 mtt -64.41 -34.14 77.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.076 176.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.18 -53.66 54.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.452 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.63 -42.72 88.9 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 39.5 t -59.74 -42.23 92.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.519 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.63 -40.09 80.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.939 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 80.2 m -57.76 -52.73 64.26 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.541 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1024 ' ' ALA . . . . . 0.4 ' HB1' HG13 ' A' 1001 ' ' VAL . . . -65.06 -37.41 87.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.158 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -60.95 -46.05 92.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.557 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -69.55 -38.31 77.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.656 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1027 ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' 1031 ' ' LEU . 55.9 tp -58.78 -37.95 77.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.118 175.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.48 -40.74 96.59 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.396 176.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 74.7 m -73.37 -35.98 66.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.97 0.414 . . . . 0.0 110.531 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.28 89.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.031 175.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1031 ' ' LEU . . . . . 0.495 HD22 ' HA ' ' A' ' 994' ' ' LEU . 88.6 mt -68.08 -36.55 80.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.561 175.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.32 -61.84 2.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.865 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.19 -30.13 69.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.012 -176.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 52.7 tp -65.09 -47.43 77.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.112 0.482 . . . . 0.0 110.192 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -58.35 -47.94 82.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.458 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 35.9 m -64.42 -44.07 92.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.446 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.0 96.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.902 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1038 ' ' ALA . . . . . 0.551 ' HA ' HD11 ' A' ' 917' ' ' LEU . . . -63.06 -39.49 94.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.826 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -60.94 -47.95 84.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.126 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.76 -46.3 69.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.241 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -65.17 -36.55 84.58 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -174.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1042 ' ' GLN . . . . . 0.443 ' HB2' HG21 ' A' ' 987' ' ' ILE . 63.8 tt0 -68.77 -21.92 64.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.714 0.292 . . . . 0.0 111.104 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -107.2 12.95 27.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.966 0.412 . . . . 0.0 110.869 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1044 ' ' ALA . . . . . 0.526 ' HB2' HD12 ' A' ' 913' ' ' LEU . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.578 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 111.958 -0.457 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 10.1 mt 54.24 41.32 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.706 0.765 . . . . 0.0 109.75 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -72.75 115.34 38.92 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.413 -172.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -90.03 14.28 2.14 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.101 2.534 . . . . 0.0 112.218 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -81.8 -72.81 0.42 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.494 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 48.0 p -131.5 175.56 9.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.157 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 41.8 mt -81.83 -25.6 35.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.881 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 914' ' ' VAL . . . . . 0.481 HG11 ' HB2' ' A' ' 983' ' ' GLN . 6.7 m -81.16 -23.7 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.084 -176.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.12 -32.12 73.43 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.696 0.76 . . . . 0.0 109.777 173.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -66.06 -37.54 86.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.208 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 917' ' ' LEU . . . . . 0.624 ' HB3' HD22 ' A' ' 986' ' ' LEU . 95.1 mt -64.23 -36.07 82.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.13 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -55.2 -48.55 73.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.129 0.49 . . . . 0.0 110.744 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -75.95 -43.87 42.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.743 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 920' ' ' ALA . . . . . 0.47 ' HA ' ' HG2' ' A' ' 923' ' ' GLN . . . -63.4 -38.91 92.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.783 -176.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.32 87.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.737 0.304 . . . . 0.0 111.113 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -69.95 -41.71 74.16 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.291 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 923' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 920' ' ' ALA . 19.1 pt20 -70.37 -31.05 68.15 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.722 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -71.01 -45.19 64.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.999 0.428 . . . . 0.0 110.035 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 925' ' ' ALA . . . . . 0.546 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.92 -33.22 71.58 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.735 177.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -74.61 -55.39 5.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.295 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 19.8 p -62.47 -34.99 77.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 111.478 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 928' ' ' ALA . . . . . 0.58 ' HB1' HG11 ' A' ' 959' ' ' VAL . . . -59.21 -44.62 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.772 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 38.8 m -62.0 -41.32 97.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.543 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -63.03 -42.75 99.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.246 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 27.9 m -65.57 -37.91 88.04 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.9 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.548 ' O ' ' HG2' ' A' ' 936' ' ' GLN . 78.3 mt -61.51 -49.12 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 120.883 0.373 . . . . 0.0 110.279 175.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -57.3 -41.73 80.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.536 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -66.79 -49.76 64.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.863 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.607 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -54.66 -57.31 11.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.367 -175.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 936' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 26.4 pt20 -73.64 -11.08 60.3 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -173.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -102.51 -31.49 10.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.881 0.372 . . . . 0.0 111.153 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 938' ' ' ALA . . . . . 0.628 ' HB1' HD13 ' A' 1011 ' ' ILE . . . -76.12 -41.35 50.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.091 0.472 . . . . 0.0 110.112 176.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -125.9 83.46 2.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.099 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 16.2 m -83.25 -43.6 15.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.927 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -161.56 120.0 1.44 Allowed Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.085 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 942' ' ' PRO . . . . . 0.466 ' HB2' ' HB2' ' A' ' 945' ' ' SER . 22.5 Cg_exo -65.04 98.06 0.3 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.724 2.283 . . . . 0.0 111.214 176.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -80.82 1.11 32.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.126 -172.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -121.16 14.06 11.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.077 0.465 . . . . 0.0 110.318 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 945' ' ' SER . . . . . 0.466 ' HB2' ' HB2' ' A' ' 942' ' ' PRO . 13.0 m -132.51 158.87 41.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.922 -178.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -93.06 -41.42 9.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.939 0.4 . . . . 0.0 110.974 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . -176.18 77.32 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.305 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -87.01 -169.78 0.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 123.047 2.498 . . . . 0.0 111.676 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 949' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 949' ' ' GLN . 7.6 pt20 -113.22 95.07 33.74 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 121.109 0.48 . . . . 0.0 110.691 177.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 950' ' ' PRO . . . . . 0.456 ' C ' ' H ' ' A' ' 952' ' ' LEU . 3.2 Cg_exo -77.71 -36.61 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.555 2.17 . . . . 0.0 111.997 177.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 951' ' ' LEU . 3.1 mm? 68.9 -30.14 0.18 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.599 0.76 . . . . 0.0 112.57 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 952' ' ' LEU . . . . . 0.657 HD21 ' HA ' ' A' 1004 ' ' ALA . 76.5 mt -47.3 -60.82 2.23 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 122.93 0.492 . . . . 0.0 112.319 -178.144 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 43.3 t -51.74 -42.93 32.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 111.486 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -71.61 -39.23 70.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.653 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 15.7 m -70.42 -39.89 74.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.766 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 99.5 m -61.84 -35.7 79.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.189 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 961' ' ' GLU . 98.8 mttt -66.96 -40.89 87.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 0.0 110.52 176.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.83 -48.25 66.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.864 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.58 HG11 ' HB1' ' A' ' 928' ' ' ALA . 89.8 t -60.97 -38.8 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.817 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -62.84 -20.96 65.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.754 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 42.1 mt-10 -83.94 -26.99 28.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.077 0.465 . . . . 0.0 110.338 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 962' ' ' GLN . . . . . 0.709 ' HG3' ' HG3' ' A' ' 996' ' ' PRO . 11.2 mm100 -91.99 -26.92 18.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.563 -172.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.694 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 86.6 mt -54.59 -53.44 60.11 Favored Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.743 177.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.694 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 36.9 Cg_exo -59.09 -35.69 97.6 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.096 1.864 . . . . 0.0 111.895 176.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 73.6 mt -64.29 -40.3 95.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.717 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 970' ' ' VAL . 55.0 mt -56.79 -61.75 2.22 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.186 174.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 57.7 t -60.68 -36.63 71.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.304 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -62.03 -43.84 97.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.9 -43.46 96.0 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.987 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 966' ' ' LEU . 43.8 t -57.2 -55.7 19.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.746 0.307 . . . . 0.0 110.25 177.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -60.15 -37.97 81.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.448 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.7 -39.98 98.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.814 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 15.3 m -77.0 -16.41 59.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.815 0.34 . . . . 0.0 110.876 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 95.0 mt-30 -84.38 -44.08 14.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.004 0.431 . . . . 0.0 110.302 175.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -66.09 -33.36 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.977 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -97.01 104.65 19.62 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 174.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.0 -61.14 0.63 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.046 2.497 . . . . 0.0 112.869 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -138.11 81.07 1.84 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.132 0.492 . . . . 0.0 109.675 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.413 ' HA ' ' HD2' ' A' ' 980' ' ' PRO . 29.8 t -120.18 122.71 28.7 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.471 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.603 ' HA ' ' HG2' ' A' ' 983' ' ' GLN . 23.0 Cg_endo -62.76 -30.68 78.3 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.453 2.102 . . . . 0.0 111.295 177.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 47.6 t -68.12 -40.56 82.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.206 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -70.08 -50.53 39.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 983' ' ' GLN . . . . . 0.603 ' HG2' ' HA ' ' A' ' 980' ' ' PRO . 20.4 pt20 -60.28 -38.54 83.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.219 -176.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 984' ' ' LEU . . . . . 0.422 HD13 HD12 ' A' ' 987' ' ' ILE . 3.2 mm? -66.26 -33.26 75.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.94 177.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -68.11 -34.66 76.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.138 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 986' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 917' ' ' LEU . 0.6 OUTLIER -64.91 -47.56 77.34 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.753 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 987' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 983' ' ' GLN . 67.5 mt -56.56 -47.55 81.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.295 177.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -56.04 -49.82 72.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.263 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.87 97.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.008 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.514 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 30.6 m -58.91 -50.63 73.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.13 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 991' ' ' GLN . . . . . 0.657 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.7 mt-30 -65.11 -39.32 92.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.104 0.478 . . . . 0.0 110.969 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 55.0 m -69.49 -20.76 63.73 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.513 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.492 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 85.7 t80 -83.49 -28.58 28.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.943 0.402 . . . . 0.0 110.326 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 991' ' ' GLN . 71.0 mt -60.82 -37.65 82.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.127 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.59 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 52.0 tp60 -56.28 -62.38 4.92 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.003 -178.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.709 ' HG3' ' HG3' ' A' ' 962' ' ' GLN . 73.8 Cg_endo -76.39 -30.93 4.86 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.508 1.472 . . . . 0.0 112.492 179.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.462 ' O ' HG23 ' A' 1001 ' ' VAL . . . -64.64 -51.33 52.81 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.084 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -67.41 -20.88 71.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.996 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -77.25 -35.67 55.19 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 53.9 ttp -74.47 -27.42 60.58 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.154 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 997' ' ' GLY . 77.0 t -60.07 -48.28 88.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.99 174.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -67.51 -42.21 83.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.48 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -57.19 -41.83 80.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.07 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.657 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -64.99 -49.22 71.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.78 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 68.8 mttm -59.53 -36.88 77.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.208 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -77.51 -19.3 56.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.468 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1007 ' ' SER . . . . . 0.504 ' O ' HG13 ' A' 1011 ' ' ILE . 68.2 m -92.92 -15.48 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.481 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.562 HG13 ' HB1' ' A' 1017 ' ' ALA . 80.9 t -54.91 -51.69 77.13 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1009 ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' 1008 ' ' VAL . 41.1 Cg_endo -68.53 -17.23 43.46 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.991 1.794 . . . . 0.0 113.344 -178.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 46.9 p -88.4 -3.67 58.79 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.191 0.52 . . . . 0.0 111.09 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.628 HD13 ' HB1' ' A' ' 938' ' ' ALA . 66.9 mt -95.83 132.58 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.585 176.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -84.7 -37.02 21.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.838 0.352 . . . . 0.0 110.269 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -69.91 110.64 5.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.928 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -57.42 -38.58 74.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.357 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.99 98.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 0.0 110.761 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1016 ' ' SER . . . . . 0.514 ' HB3' ' HA ' ' A' ' 938' ' ' ALA . 19.9 m -67.14 -39.77 86.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.053 0.454 . . . . 0.0 110.198 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.562 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -63.6 -42.84 98.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.586 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 87.2 mtp -68.61 -30.23 68.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.071 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -65.34 -46.67 79.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.607 HD21 ' HA ' ' A' ' 935' ' ' ALA . 11.5 mt -62.96 -44.62 95.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.684 175.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 34.5 t -58.52 -36.46 73.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.864 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -74.25 -49.86 21.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1023 ' ' CYS . . . . . 0.65 ' HA ' ' OD1' ' A' 1026 ' ' ASN . 83.9 m -66.42 -42.79 87.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.758 -175.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.63 72.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.103 0.477 . . . . 0.0 110.658 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -72.01 -40.61 68.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.099 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1026 ' ' ASN . . . . . 0.65 ' OD1' ' HA ' ' A' 1023 ' ' CYS . 0.8 OUTLIER -81.07 -33.83 33.14 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.593 -179.127 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 67.4 tp -64.56 -41.79 96.09 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 175.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.51 -40.01 93.88 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.989 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 16.2 m -75.2 -32.82 61.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.98 0.419 . . . . 0.0 110.605 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -63.66 -45.05 91.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.247 0.546 . . . . 0.0 110.011 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.97 -30.13 67.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.673 177.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.54 -59.67 4.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.287 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.29 -35.47 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.077 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.95 -48.08 83.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.06 0.457 . . . . 0.0 110.432 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -63.27 -46.02 88.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.674 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 93.5 m -61.54 -44.43 97.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.996 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.85 82.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.976 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.79 92.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.207 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1039 ' ' GLN . . . . . 0.514 ' O ' ' HG2' ' A' 1043 ' ' GLU . 61.5 tt0 -64.79 -44.69 89.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.195 178.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.33 -45.12 85.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.602 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -62.42 -33.6 75.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.914 -177.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -75.53 -45.18 39.58 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.057 -177.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1043 ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' 1039 ' ' GLN . 14.4 mm-40 -76.26 -12.48 60.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.816 0.341 . . . . 0.0 111.134 -176.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.596 -0.716 . . . . 0.0 110.93 -179.137 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.862 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 20.3 pt -109.95 118.52 57.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.325 0.583 . . . . 0.0 110.553 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 909' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 910' ' ' PRO . 27.7 t70 -146.4 140.3 15.21 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 910' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 909' ' ' ASP . 31.8 Cg_exo -57.77 92.66 0.06 OUTLIER 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.0 2.467 . . . . 0.0 111.77 178.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -81.21 -170.64 2.84 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.066 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 68.1 p -81.89 172.25 13.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.238 0.542 . . . . 0.0 111.573 -176.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 33.9 mt -75.76 -37.3 59.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.882 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 914' ' ' VAL . . . . . 0.416 ' HA ' HD12 ' A' ' 917' ' ' LEU . 27.2 m -69.99 -25.58 28.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.763 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -44.48 85.01 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 173.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 916' ' ' ARG . . . . . 0.783 ' HA ' ' CD2' ' A' ' 919' ' ' HIS . 15.0 mtp180 -67.86 -39.83 83.71 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.384 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 917' ' ' LEU . . . . . 0.572 ' HB3' HD22 ' A' ' 986' ' ' LEU . 75.6 mt -54.09 -43.68 70.56 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.406 0.442 . . . . 0.0 110.288 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 47.9 mt-10 -55.15 -58.34 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.813 176.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 919' ' ' HIS . . . . . 0.783 ' CD2' ' HA ' ' A' ' 916' ' ' ARG . 10.6 p80 -72.23 -24.52 61.39 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -173.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -80.11 -45.87 17.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.346 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.39 -36.22 82.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.493 0.187 . . . . 0.0 111.261 -178.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -60.75 -51.9 67.37 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.971 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -69.25 -33.28 73.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.686 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -63.15 -48.04 80.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 925' ' ' ALA . . . . . 0.553 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.78 -41.23 90.65 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.78 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 926' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 930' ' ' GLN . . . -65.14 -52.63 54.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.068 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 13.9 t -62.92 -37.49 87.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.687 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 928' ' ' ALA . . . . . 0.571 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -60.12 -44.78 94.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.614 177.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 57.6 m -57.15 -40.86 78.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.539 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 930' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 926' ' ' ALA . 64.8 mt-30 -68.87 -42.84 76.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.457 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 23.5 m -65.21 -39.32 92.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.464 -177.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 956' ' ' CYS . 83.5 mt -61.01 -50.97 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.921 0.391 . . . . 0.0 110.681 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.98 87.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.351 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 934' ' ' ALA . . . . . 0.509 ' HB1' ' HG3' ' A' 1019 ' ' GLN . . . -63.38 -48.89 76.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.907 177.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.682 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -59.1 -49.72 76.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.441 -177.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -67.26 -28.21 67.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.505 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -85.73 -47.18 10.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.707 0.289 . . . . 0.0 111.139 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.8 87.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.733 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -90.05 -6.67 55.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.031 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 23.2 t 61.45 87.08 0.1 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.47 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 941' ' ' ALA . . . . . 0.498 ' HA ' ' HD3' ' A' ' 942' ' ' PRO . . . -56.64 143.38 68.5 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.278 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 942' ' ' PRO . . . . . 0.859 ' HB3' ' HA ' ' A' ' 946' ' ' ALA . 4.6 Cg_exo -74.89 100.23 1.33 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.119 2.546 . . . . 0.0 112.923 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -90.8 -31.75 16.37 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 173.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -142.1 -39.7 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.409 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 61.8 m -102.27 112.72 25.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.984 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.859 ' HA ' ' HB3' ' A' ' 942' ' ' PRO . . . -83.82 147.12 27.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.216 -177.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . -142.26 172.46 24.21 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -71.24 83.47 0.98 Allowed 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.839 2.359 . . . . 0.0 112.664 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -149.5 52.2 1.07 Allowed Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.741 175.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 950' ' ' PRO . . . . . 0.666 ' HG2' HD22 ' A' ' 951' ' ' LEU . 43.4 Cg_endo -68.65 -36.1 15.26 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.122 1.881 . . . . 0.0 112.418 -173.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.666 HD22 ' HG2' ' A' ' 950' ' ' PRO . 3.1 mm? -71.06 -40.14 71.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.28 -178.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 952' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 952' ' ' LEU . 30.6 mt -58.19 -58.38 8.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 953' ' ' VAL . . . . . 0.597 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 42.1 t -65.43 -26.87 40.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.938 0.399 . . . . 0.0 111.399 -174.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 954' ' ' GLN . . . . . 0.532 ' HA ' ' OE1' ' A' ' 954' ' ' GLN . 6.0 tp60 -79.58 -37.73 35.66 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.856 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 955' ' ' SER . . . . . 0.481 ' HB2' ' HB2' ' A' 1000 ' ' MET . 30.3 p -78.17 -39.85 39.57 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.054 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 956' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 21.2 p -60.71 -41.62 95.62 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.237 -176.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -67.64 -36.46 80.8 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.705 0.288 . . . . 0.0 110.536 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 958' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -70.58 -51.95 24.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.582 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 963' ' ' ILE . 97.0 t -57.53 -40.24 73.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.883 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.17 66.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.827 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -83.64 -22.41 32.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.729 0.299 . . . . 0.0 111.191 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 962' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 958' ' ' ALA . 86.3 mm-40 -83.47 -23.65 32.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.238 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.709 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 93.1 mt -56.32 -54.82 48.84 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.709 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 41.1 Cg_exo -58.28 -32.52 96.14 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.01 1.807 . . . . 0.0 112.24 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.16 -37.58 81.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.802 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 970' ' ' VAL . 78.8 mt -60.72 -56.23 23.79 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.283 174.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 52.2 t -61.82 -39.66 84.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.329 -175.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -64.49 -34.91 79.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.009 0.433 . . . . 0.0 110.047 175.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -67.47 -46.5 69.34 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.631 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 966' ' ' LEU . 42.3 t -58.38 -52.24 61.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.883 0.373 . . . . 0.0 110.359 177.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.45 -25.57 68.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.303 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -67.23 -44.13 87.13 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.721 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 20.5 t -72.77 -32.94 65.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.055 0.455 . . . . 0.0 110.172 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -68.16 -27.6 66.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -76.5 -41.08 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 110.634 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -133.79 95.55 17.32 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.05 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -69.19 -14.17 37.4 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.785 2.323 . . . . 0.0 112.149 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -120.59 74.77 1.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.442 0.639 . . . . 0.0 109.382 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 983' ' ' GLN . 33.5 t -159.33 108.56 1.52 Allowed Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.35 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.89 -35.71 98.62 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.568 2.178 . . . . 0.0 111.236 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 25.4 t -63.35 -44.55 94.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.368 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.31 94.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.83 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 983' ' ' GLN . . . . . 0.476 ' O ' HG13 ' A' ' 987' ' ' ILE . 40.0 mm-40 -65.95 -49.91 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.005 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.39 -24.98 65.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.702 -177.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -68.96 -45.9 69.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.838 0.351 . . . . 0.0 110.154 175.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 986' ' ' LEU . . . . . 0.572 HD22 ' HB3' ' A' ' 917' ' ' LEU . 2.4 tt -69.33 -46.94 65.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.783 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 987' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 983' ' ' GLN . 78.1 mt -56.49 -45.88 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.907 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -67.87 -42.05 81.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.98 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.78 85.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.822 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.588 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 36.2 m -60.22 -51.23 70.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.677 178.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 991' ' ' GLN . . . . . 0.639 ' HA ' HD12 ' A' ' 994' ' ' LEU . 68.7 mt-30 -64.9 -36.09 83.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.726 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 48.9 m -70.31 -18.5 63.1 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.3 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.571 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 88.4 t80 -93.42 -32.13 14.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.672 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 991' ' ' GLN . 81.8 mt -56.62 -43.89 80.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.497 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.599 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 54.5 tp60 -60.32 -60.75 9.61 Favored Pre-proline 0 CA--C 1.543 0.679 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.995 -175.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 59.4 Cg_endo -73.07 -30.08 11.14 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.624 1.549 . . . . 0.0 112.285 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.456 ' O ' HG23 ' A' 1001 ' ' VAL . . . -64.65 -45.27 93.38 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.697 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.43 -34.81 86.87 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.829 177.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 999' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 98.1 mttt -63.1 -41.44 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.598 0.237 . . . . 0.0 110.732 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1000 ' ' MET . . . . . 0.481 ' HB2' ' HB2' ' A' ' 955' ' ' SER . 44.9 ttp -72.3 -33.48 67.42 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -177.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 997' ' ' GLY . 99.0 t -59.19 -49.62 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.999 0.428 . . . . 0.0 110.036 174.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.41 94.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.962 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.56 80.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.232 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' 1008 ' ' VAL . . . -61.22 -49.29 77.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.401 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.76 -28.99 69.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.941 0.401 . . . . 0.0 111.347 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -80.45 -15.11 57.56 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1007 ' ' SER . . . . . 0.504 ' O ' HG13 ' A' 1011 ' ' ILE . 18.9 m -91.67 -21.15 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.67 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.46 ' N ' ' HD2' ' A' 1009 ' ' PRO . 48.6 t -54.56 -49.26 92.08 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1009 ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' 1008 ' ' VAL . 56.0 Cg_endo -70.88 -15.45 32.89 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.896 1.731 . . . . 0.0 113.228 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 36.8 p -94.77 7.75 44.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.955 0.407 . . . . 0.0 111.14 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.663 HG21 ' HB2' ' A' 1016 ' ' SER . 66.3 mt -111.09 128.33 67.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.828 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -85.99 -19.66 30.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.953 0.406 . . . . 0.0 110.524 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.27 118.21 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.239 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.55 -36.66 84.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.481 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.37 87.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.888 0.375 . . . . 0.0 111.184 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1016 ' ' SER . . . . . 0.663 ' HB2' HG21 ' A' 1011 ' ' ILE . 29.0 m -68.65 -40.81 80.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.431 176.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -62.55 -47.96 81.56 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.156 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 25.2 ptt? -66.05 -32.32 73.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.567 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1019 ' ' GLN . . . . . 0.509 ' HG3' ' HB1' ' A' ' 934' ' ' ALA . 8.5 tp-100 -63.2 -46.66 85.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.447 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.682 HD21 ' HA ' ' A' ' 935' ' ' ALA . 25.0 mt -68.11 -46.68 70.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.358 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 7.8 t -60.97 -35.49 76.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.845 0.355 . . . . 0.0 110.713 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -67.38 -60.02 2.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.806 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 58.5 m -62.73 -48.56 78.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.895 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.3 -32.31 73.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.208 -176.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -73.76 -39.31 64.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.993 0.425 . . . . 0.0 110.057 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -66.43 -44.53 82.62 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.641 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1027 ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' 1031 ' ' LEU . 51.2 tp -60.04 -41.43 92.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.132 176.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -62.08 -44.11 98.21 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.455 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 18.3 m -70.36 -31.75 69.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.126 0.488 . . . . 0.0 110.624 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -64.88 -48.21 75.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.104 175.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1031 ' ' LEU . . . . . 0.594 HD22 HD23 ' A' ' 994' ' ' LEU . 97.3 mt -64.27 -33.37 75.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.619 177.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.48 -55.55 27.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.447 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.43 -28.95 46.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.892 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 58.2 tp -63.63 -47.75 80.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.905 0.384 . . . . 0.0 110.27 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -60.63 -47.46 86.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.722 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 23.0 m -63.01 -40.72 98.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.828 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -69.39 -47.15 65.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.175 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1038 ' ' ALA . . . . . 0.405 ' CA ' HD21 ' A' ' 917' ' ' LEU . . . -63.13 -33.75 76.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.072 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -65.41 -49.37 69.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.098 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.13 -40.62 90.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.116 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.93 83.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.066 0.46 . . . . 0.0 110.876 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -63.74 -45.85 87.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.783 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -92.29 15.23 14.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.413 -176.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.422 -0.799 . . . . 0.0 110.119 177.44 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 47.1 mm 63.42 78.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.527 0.68 . . . . 0.0 110.538 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -144.37 144.91 27.14 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.441 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -72.99 89.22 0.89 Allowed 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 122.025 1.816 . . . . 0.0 111.804 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 911' ' ' PHE . . . . . 0.407 ' HB2' ' HG3' ' A' ' 915' ' ' GLN . 93.8 m-85 -53.85 -42.45 68.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.949 175.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 912' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 914' ' ' VAL . 4.1 t -164.51 178.51 7.34 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.727 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 916' ' ' ARG . 37.5 mt -66.42 -33.25 75.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.009 -175.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 914' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 912' ' ' THR . 12.3 m -72.22 -15.32 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.756 0.313 . . . . 0.0 111.426 -175.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 915' ' ' GLN . . . . . 0.407 ' HG3' ' HB2' ' A' ' 911' ' ' PHE . 89.5 mm-40 -66.25 -43.73 85.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.941 0.401 . . . . 0.0 110.5 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 916' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 913' ' ' LEU . 10.2 ptp180 -75.12 -20.99 59.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.906 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 62.4 tp -68.19 -46.65 70.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.011 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 47.1 mt-10 -56.25 -50.29 71.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.169 0.509 . . . . 0.0 110.043 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -59.09 -45.34 91.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.13 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -67.28 -41.88 84.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.459 -177.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.29 92.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.549 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 922' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 99.6 mttt -59.47 -52.03 67.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.789 0.328 . . . . 0.0 110.808 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -71.87 -27.96 63.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.343 -177.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 924' ' ' ALA . . . . . 0.546 ' HA ' ' HB1' ' A' 1030 ' ' ALA . . . -68.73 -48.39 63.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.843 0.354 . . . . 0.0 110.159 176.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 925' ' ' ALA . . . . . 0.595 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.63 -35.46 74.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.358 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -69.55 -58.5 3.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.353 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 18.9 p -59.49 -34.37 72.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.698 0.285 . . . . 0.0 111.228 -176.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 928' ' ' ALA . . . . . 0.566 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -59.5 -40.89 88.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 175.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 46.0 m -59.82 -49.37 77.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.492 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -60.94 -41.02 95.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.359 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 24.9 m -63.99 -42.68 97.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 0.0 110.408 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 956' ' ' CYS . 79.6 mt -60.75 -51.15 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.754 176.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.29 -26.0 66.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.469 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -83.42 -50.54 8.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.574 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -63.65 -57.6 9.54 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -172.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 936' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 13.1 pt20 -74.02 -10.51 59.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -173.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -98.2 -29.01 13.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.002 0.43 . . . . 0.0 110.025 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 938' ' ' ALA . . . . . 0.434 ' HB1' HD13 ' A' 1011 ' ' ILE . . . -79.26 -44.81 21.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.254 176.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 939' ' ' ALA . . . . . 0.572 ' HB2' HD12 ' A' ' 952' ' ' LEU . . . -81.87 69.42 8.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.145 0.498 . . . . 0.0 110.222 177.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 17.6 m -76.07 -37.27 58.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.91 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . 64.34 108.43 0.03 OUTLIER Pre-proline 0 C--O 1.235 0.316 0 O-C-N 124.103 0.877 . . . . 0.0 110.928 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -40.91 118.22 0.63 Allowed 'Trans proline' 0 CA--C 1.508 -0.779 0 C-N-CA 123.129 2.553 . . . . 0.0 111.514 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.38 77.16 8.28 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.936 -162.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -132.71 -70.68 0.54 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.264 -1.335 . . . . 0.0 108.024 170.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 8.7 t -166.25 95.11 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.568 170.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -112.63 -34.52 5.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.522 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 947' ' ' GLY . . . . . 0.461 ' HA2' ' HD3' ' A' ' 948' ' ' PRO . . . 163.65 133.27 1.45 Allowed Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.659 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.461 ' HD3' ' HA2' ' A' ' 947' ' ' GLY . 14.9 Cg_exo -69.0 95.64 0.5 Allowed 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.858 2.372 . . . . 0.0 112.203 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 949' ' ' GLN . . . . . 0.45 ' HA ' ' HD2' ' A' ' 950' ' ' PRO . 79.2 mt-30 65.24 99.06 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.327 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.683 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 950' ' ' PRO . . . . . 0.459 ' HG2' HG23 ' A' ' 953' ' ' VAL . 30.8 Cg_endo -65.57 168.85 13.86 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.46 2.107 . . . . 0.0 111.579 175.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.1 -39.28 78.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.586 -176.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 952' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 939' ' ' ALA . 58.2 mt -58.45 -57.41 13.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.922 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 953' ' ' VAL . . . . . 0.459 HG23 ' HG2' ' A' ' 950' ' ' PRO . 79.7 t -55.89 -43.41 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.504 -176.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -63.62 -49.65 72.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.989 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 955' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 959' ' ' VAL . 20.3 m -65.74 -39.89 91.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.039 -178.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 956' ' ' CYS . . . . . 0.59 ' HB3' HG23 ' A' ' 932' ' ' ILE . 73.2 m -58.15 -47.53 83.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.808 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -67.09 -30.42 70.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.759 0.314 . . . . 0.0 110.395 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -70.24 -48.18 58.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.617 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 963' ' ' ILE . 92.5 t -61.67 -37.22 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.653 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.98 -22.91 64.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.694 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -83.32 -24.11 32.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.836 0.351 . . . . 0.0 111.124 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 962' ' ' GLN . . . . . 0.438 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 88.1 mm-40 -88.4 -23.77 23.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.151 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.595 HG23 ' HB1' ' A' ' 925' ' ' ALA . 76.6 mt -55.72 -54.82 47.53 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.3 Cg_endo -59.25 -33.16 97.93 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.011 1.807 . . . . 0.0 112.0 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.93 -39.13 90.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.514 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 970' ' ' VAL . 82.0 mt -60.17 -59.95 4.6 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.021 175.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 40.6 t -61.1 -40.1 84.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.569 -174.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -60.6 -40.38 91.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.146 0.498 . . . . 0.0 109.718 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.94 -43.46 91.28 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.742 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 966' ' ' LEU . 25.0 t -59.77 -46.28 93.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.91 0.385 . . . . 0.0 110.537 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -67.44 -26.19 66.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.621 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -68.42 -38.12 86.58 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 173.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 42.4 t -68.59 -32.72 72.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 109.883 174.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 76.6 mt-30 -65.39 -32.63 74.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.37 175.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -73.42 -59.31 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.576 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -139.96 95.36 8.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.473 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.87 -17.37 29.0 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 122.552 2.168 . . . . 0.0 112.581 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -92.76 0.65 57.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.963 0.411 . . . . 0.0 110.399 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 29.6 t -92.67 119.24 68.04 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.437 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -61.42 -33.34 88.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.252 . . . . 0.0 111.848 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 32.8 m -62.1 -34.39 76.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -79.68 -42.59 24.41 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.614 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 983' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -65.76 -47.18 76.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.478 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 63.8 mt -60.65 -33.48 72.88 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.629 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.65 96.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.907 0.385 . . . . 0.0 110.482 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.97 -51.1 43.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.81 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 987' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' 1042 ' ' GLN . 88.3 mt -58.06 -52.44 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.465 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.03 96.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.049 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -62.68 -36.32 82.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.971 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.536 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 31.5 m -69.22 -44.37 72.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.997 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 991' ' ' GLN . . . . . 0.522 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.5 mt-30 -64.58 -40.04 94.83 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.258 0.551 . . . . 0.0 110.398 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 11.1 t -73.1 -14.27 61.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.343 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.566 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 83.1 t80 -88.41 -33.8 17.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.141 177.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 990' ' ' SER . 88.1 mt -56.12 -46.2 79.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.618 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.458 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.2 tp-100 -57.17 -60.18 10.44 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -176.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.764 ' HA ' ' HG2' ' A' ' 999' ' ' LYS . 55.8 Cg_endo -71.99 -29.5 14.9 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.348 1.365 . . . . 0.0 112.351 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' 1001 ' ' VAL . . . -63.25 -51.18 56.91 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.581 177.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -63.69 -36.69 93.66 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.683 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 999' ' ' LYS . . . . . 0.764 ' HG2' ' HA ' ' A' ' 996' ' ' PRO . 4.2 ptpp? -72.84 -21.12 61.0 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.801 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 56.2 ttp -83.02 -32.7 26.77 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 997' ' ' GLY . 96.3 t -59.32 -51.04 77.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.01 174.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.83 96.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.114 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -59.52 -44.03 93.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.56 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' 1008 ' ' VAL . . . -61.33 -47.51 85.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.931 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 97.5 mttt -57.76 -36.78 72.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.699 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -79.76 -23.06 42.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.501 -176.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1007 ' ' SER . . . . . 0.496 ' O ' HG13 ' A' 1011 ' ' ILE . 69.7 m -85.05 -21.81 29.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.257 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' 1004 ' ' ALA . 78.5 t -51.84 -57.4 14.93 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1009 ' ' PRO . . . . . 0.518 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 59.3 Cg_endo -72.1 -13.17 28.57 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 121.963 1.775 . . . . 0.0 113.434 -176.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 22.8 p -91.88 -14.89 28.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.328 . . . . 0.0 111.598 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.61 HG21 ' HB2' ' A' 1016 ' ' SER . 75.7 mt -84.42 141.24 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.306 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -84.42 -41.85 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -65.54 113.73 4.39 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.295 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.446 ' O ' ' HG3' ' A' 1018 ' ' MET . 0.5 OUTLIER -65.86 -31.32 72.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.992 -175.286 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -67.82 -37.34 81.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.528 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1016 ' ' SER . . . . . 0.61 ' HB2' HG21 ' A' 1011 ' ' ILE . 7.2 m -65.38 -43.66 90.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.894 177.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.477 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -64.28 -46.51 83.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.182 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1018 ' ' MET . . . . . 0.446 ' HG3' ' O ' ' A' 1014 ' ' GLN . 67.2 mtt -60.72 -47.87 84.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -61.73 -44.32 97.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.813 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.574 HD21 ' HA ' ' A' ' 935' ' ' ALA . 12.8 mt -59.99 -52.48 65.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.758 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 26.0 t -59.02 -38.19 78.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.876 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -70.67 -48.67 53.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.018 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 77.2 m -63.4 -44.99 93.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.213 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.14 -31.71 72.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.15 0.5 . . . . 0.0 110.86 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -66.46 -48.05 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.126 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -68.72 -39.05 80.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.941 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1027 ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' 1031 ' ' LEU . 63.3 tp -64.11 -37.91 89.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.057 176.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -60.26 -46.88 93.46 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.277 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 5.6 m -68.86 -33.62 74.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.982 0.42 . . . . 0.0 110.568 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1030 ' ' ALA . . . . . 0.546 ' HB1' ' HA ' ' A' ' 924' ' ' ALA . . . -61.53 -43.54 98.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.076 176.049 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1031 ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' 1027 ' ' LEU . 91.0 mt -67.94 -36.45 80.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.413 175.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.5 88.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.449 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.93 -55.46 19.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.217 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1034 ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' 1034 ' ' LEU . 6.8 mt -50.8 -56.46 12.02 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.674 0.609 . . . . 0.0 112.119 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1035 ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' 1035 ' ' ARG . 42.7 ttp180 -52.62 -48.33 66.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.625 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1036 ' ' THR . . . . . 0.446 HG22 ' HE2' ' A' 1040 ' ' LYS . 27.6 m -71.26 -43.23 67.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.009 0.433 . . . . 0.0 111.168 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.93 61.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.192 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -65.78 -33.74 76.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.045 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1039 ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' 1043 ' ' GLU . 25.0 tp60 -62.09 -53.44 55.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.729 0.3 . . . . 0.0 110.518 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1040 ' ' LYS . . . . . 0.446 ' HE2' HG22 ' A' 1036 ' ' THR . 58.2 mtmt -69.55 -34.46 74.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.217 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -71.64 -31.14 66.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 111.189 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1042 ' ' GLN . . . . . 0.515 ' HA ' HD13 ' A' ' 987' ' ' ILE . 24.2 tm0? -66.64 -39.2 88.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.107 0.48 . . . . 0.0 110.154 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1043 ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' 1039 ' ' GLN . 9.3 pt-20 -94.11 15.02 18.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.907 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1044 ' ' ALA . . . . . 0.416 ' HB2' HD12 ' A' ' 913' ' ' LEU . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.681 -0.676 . . . . 0.0 109.909 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 112.044 -0.422 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 908' ' ' ILE . . . . . 0.673 HD11 ' HA ' ' A' ' 916' ' ' ARG . 9.6 tt -131.12 137.95 54.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.243 0.544 . . . . 0.0 111.095 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -129.07 126.43 23.11 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 174.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -72.27 78.06 1.96 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.216 1.944 . . . . 0.0 112.81 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 911' ' ' PHE . . . . . 0.699 ' HD2' ' HG2' ' A' ' 915' ' ' GLN . 94.6 m-85 -68.66 -57.71 5.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.62 173.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 81.2 p -125.75 177.96 5.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.283 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' 1041 ' ' ALA . 88.9 mt -69.21 -40.06 78.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.699 178.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 27.4 m -77.95 -25.05 14.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.664 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 915' ' ' GLN . . . . . 0.699 ' HG2' ' HD2' ' A' ' 911' ' ' PHE . 6.5 tp-100 -63.48 -43.37 97.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 0.0 110.683 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 916' ' ' ARG . . . . . 0.673 ' HA ' HD11 ' A' ' 908' ' ' ILE . 16.1 ptm180 -72.71 -24.66 61.03 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.158 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.92 -52.8 25.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.807 175.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -50.16 -54.98 17.04 Favored 'General case' 0 N--CA 1.462 0.151 0 O-C-N 123.361 0.413 . . . . 0.0 111.47 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -66.15 -32.63 74.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.98 -175.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -75.62 -43.64 46.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.911 0.386 . . . . 0.0 110.743 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.62 88.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.31 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -55.45 -53.88 50.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.083 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -67.97 -31.36 71.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.622 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.23 -50.33 66.24 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 176.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 925' ' ' ALA . . . . . 0.71 ' HB2' HD12 ' A' ' 966' ' ' LEU . . . -61.15 -41.6 97.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.748 178.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.58 -48.69 71.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.168 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 18.7 t -65.78 -34.53 78.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.333 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.31 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 174.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 49.0 m -59.3 -43.67 92.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.26 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -61.06 -45.82 93.18 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.577 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 23.7 m -64.03 -39.24 93.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.798 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.631 HG23 ' SG ' ' A' ' 956' ' ' CYS . 52.6 mt -59.76 -48.56 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.805 0.336 . . . . 0.0 110.575 176.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.54 81.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.518 178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.09 98.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.84 75.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.358 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -70.07 -25.11 63.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.473 -176.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -86.33 -59.72 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.732 0.301 . . . . 0.0 111.393 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -65.96 -37.91 87.21 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -170.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 939' ' ' ALA . . . . . 0.448 ' C ' ' H ' ' A' ' 941' ' ' ALA . . . -81.4 -4.81 56.87 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.156 -0.217 . . . . 0.0 111.393 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 24.9 t 71.62 -31.98 0.24 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.418 0.687 . . . . 0.0 111.799 178.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 941' ' ' ALA . . . . . 0.448 ' H ' ' C ' ' A' ' 939' ' ' ALA . . . 72.59 126.21 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.338 0 C-N-CA 123.908 0.883 . . . . 0.0 111.132 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 942' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 941' ' ' ALA . 47.8 Cg_exo -56.37 144.17 83.9 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.953 2.435 . . . . 0.0 112.229 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -83.47 -51.94 6.93 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.526 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -140.01 105.23 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.576 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 39.1 t -131.72 156.34 46.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.06 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -123.08 8.64 9.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 179.0 -76.76 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.342 -0.933 . . . . 0.0 113.068 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -55.23 104.46 0.12 Allowed 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 123.318 2.678 . . . . 0.0 113.277 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 949' ' ' GLN . . . . . 0.501 HE21 HG11 ' A' ' 953' ' ' VAL . 15.7 mm100 -118.98 154.25 53.08 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.453 177.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.44 30.19 0.23 Allowed 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 123.21 2.606 . . . . 0.0 113.187 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.465 ' HG ' ' HB2' ' A' 1003 ' ' ALA . 14.8 tp 68.99 -55.79 0.55 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.811 0.844 . . . . 0.0 112.111 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 28.8 mt -41.4 -45.42 3.1 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 953' ' ' VAL . . . . . 0.501 HG11 HE21 ' A' ' 949' ' ' GLN . 44.6 t -58.32 -39.29 73.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.021 0.438 . . . . 0.0 111.366 -177.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -77.45 -46.32 22.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.012 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 955' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 959' ' ' VAL . 11.9 m -61.08 -41.19 96.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.667 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 956' ' ' CYS . . . . . 0.631 ' SG ' HG23 ' A' ' 932' ' ' ILE . 36.3 t -55.56 -44.49 76.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.948 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.79 -44.19 86.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.636 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -62.46 -47.24 84.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.037 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 963' ' ' ILE . 89.6 t -64.03 -42.34 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -57.96 -28.29 64.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.45 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -82.0 -27.6 33.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 962' ' ' GLN . . . . . 0.901 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 84.2 mm-40 -88.36 -33.38 17.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.042 -175.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 959' ' ' VAL . 78.5 mt -48.11 -54.59 23.53 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 11.6 Cg_endo -56.02 -46.17 33.1 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.146 1.897 . . . . 0.0 112.344 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.92 -35.66 80.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.145 0.498 . . . . 0.0 110.344 -177.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 925' ' ' ALA . 2.1 tm? -67.47 -47.19 70.82 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.909 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 71.7 t -68.41 -39.63 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.101 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 968' ' ' GLN . . . . . 0.432 ' HA ' ' OE1' ' A' ' 968' ' ' GLN . 15.9 mm-40 -64.92 -27.29 68.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 110.183 175.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.5 -44.9 89.05 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 173.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 974' ' ' GLN . 38.6 t -59.49 -52.15 64.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.017 0.437 . . . . 0.0 110.327 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 971' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 971' ' ' ARG . 36.5 mtp85 -68.52 -24.09 64.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.191 -177.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.64 -40.67 98.86 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.511 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 973' ' ' SER . . . . . 0.411 ' HB2' HD12 ' A' ' 986' ' ' LEU . 34.6 t -69.67 -25.49 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.295 0.569 . . . . 0.0 110.218 177.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 80.2 mt-30 -81.06 -34.54 32.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.462 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -77.03 -34.18 57.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.631 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -122.4 89.77 49.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.402 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.24 -60.87 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.611 2.874 . . . . 0.0 113.683 -172.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -120.5 71.91 0.94 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.604 0.716 . . . . 0.0 110.716 -175.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 980' ' ' PRO . 51.0 m -130.17 120.63 19.24 Favored Pre-proline 0 N--CA 1.443 -0.788 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.89 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 979' ' ' SER . 5.9 Cg_endo -49.71 -41.54 45.71 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.295 2.663 . . . . 0.0 112.303 178.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 10.7 p -59.08 -50.91 72.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.983 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.24 86.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.183 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 983' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 987' ' ' ILE . 1.9 mp0 -58.04 -51.14 70.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.961 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 37.6 tp -66.66 -29.29 69.27 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.058 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.63 97.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.38 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 986' ' ' LEU . . . . . 0.411 HD12 ' HB2' ' A' ' 973' ' ' SER . 3.1 tt -66.87 -45.32 78.44 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 987' ' ' ILE . . . . . 0.603 HG21 ' HB2' ' A' 1042 ' ' GLN . 81.5 mt -57.37 -49.89 78.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.816 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.59 98.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.07 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 989' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 966' ' ' LEU . . . -61.7 -41.23 97.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.861 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.669 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.2 m -58.63 -49.16 78.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.666 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 991' ' ' GLN . . . . . 0.732 ' HA ' HD12 ' A' ' 994' ' ' LEU . 65.6 mt-30 -68.55 -35.01 76.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.613 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 24.2 t -66.59 -22.87 66.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.532 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.509 ' CG ' ' HG ' ' A' ' 966' ' ' LEU . 45.9 t80 -88.4 -29.2 20.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.577 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 991' ' ' GLN . 69.0 mt -63.64 -41.96 98.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.622 -178.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.792 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.5 tp60 -57.26 -60.96 8.08 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.852 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.901 ' HG2' ' HG3' ' A' ' 962' ' ' GLN . 12.0 Cg_exo -70.45 -38.69 5.97 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 121.938 1.759 . . . . 0.0 111.878 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.522 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.42 -50.62 65.59 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.242 -178.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.66 -35.49 91.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.097 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -69.73 -32.69 71.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.475 0.179 . . . . 0.0 111.114 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 47.1 ttp -74.2 -31.32 62.6 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 997' ' ' GLY . 71.2 t -62.03 -50.64 79.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 172.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -58.52 -42.37 87.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.86 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1003 ' ' ALA . . . . . 0.465 ' HB2' ' HG ' ' A' ' 951' ' ' LEU . . . -63.09 -48.29 79.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.152 178.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' 1008 ' ' VAL . . . -58.63 -51.13 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.061 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.62 -29.35 70.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.599 -178.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -80.62 -24.72 38.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.992 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1007 ' ' SER . . . . . 0.584 ' O ' HG13 ' A' 1011 ' ' ILE . 32.6 t -85.12 -23.95 28.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.566 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' 1004 ' ' ALA . 69.2 t -51.51 -53.74 46.74 Favored Pre-proline 0 CA--C 1.541 0.606 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1009 ' ' PRO . . . . . 0.404 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 58.8 Cg_endo -71.99 -14.66 29.31 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 121.762 1.641 . . . . 0.0 113.06 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 25.4 p -95.42 -1.0 51.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.949 0.404 . . . . 0.0 111.38 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' 1007 ' ' SER . 83.5 mt -90.61 135.88 25.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -76.54 -35.63 58.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.039 0.447 . . . . 0.0 110.554 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -83.9 108.79 17.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.354 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.1 -26.29 63.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.77 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1015 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' 1018 ' ' MET . . . -67.34 -38.54 85.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.251 0.548 . . . . 0.0 109.892 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 41.3 m -72.69 -34.36 67.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.361 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.547 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -63.95 -44.47 92.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.029 177.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1018 ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' 1015 ' ' ALA . 26.6 ptm -68.85 -25.45 64.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.342 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -65.79 -46.46 78.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.105 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.69 -42.5 95.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.862 175.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 26.0 t -60.85 -43.27 98.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.88 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -60.23 -48.17 82.86 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.794 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 61.7 m -64.23 -47.58 79.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.014 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.26 83.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.421 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.83 -45.93 90.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.489 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -67.07 -52.6 40.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.793 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.12 -47.39 78.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.33 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.84 -40.04 96.21 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.766 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 22.0 m -75.79 -35.8 59.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.983 0.42 . . . . 0.0 110.559 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.7 -48.1 82.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.29 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1031 ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 994' ' ' LEU . 94.6 mt -66.09 -32.06 73.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.575 177.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.44 74.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.127 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.35 -22.15 30.66 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.324 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 57.7 tp -66.63 -46.18 76.64 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 174.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -61.49 -40.15 93.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.296 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 47.2 m -63.8 -47.51 80.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.693 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1037 ' ' ALA . . . . . 0.4 ' HB1' ' HG3' ' A' ' 916' ' ' ARG . . . -65.1 -46.25 81.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.678 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.42 82.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.009 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1039 ' ' GLN . . . . . 0.652 ' O ' ' HG2' ' A' 1043 ' ' GLU . 52.0 tp60 -62.79 -52.62 62.48 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 67.9 mttm -56.49 -46.35 80.53 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.5 0.5 . . . . 0.0 111.661 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1041 ' ' ALA . . . . . 0.575 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -66.31 -25.95 67.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.438 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1042 ' ' GLN . . . . . 0.603 ' HB2' HG21 ' A' ' 987' ' ' ILE . 18.5 tm0? -85.22 -32.42 22.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.574 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1043 ' ' GLU . . . . . 0.652 ' HG2' ' O ' ' A' 1039 ' ' GLN . 6.3 mm-40 -68.04 -34.24 76.09 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.15 0.5 . . . . 0.0 110.656 178.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.065 -177.389 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 112.077 -0.409 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 39.7 pt -70.79 156.4 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.723 0.297 . . . . 0.0 110.66 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -117.11 122.84 30.72 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 121.027 0.442 . . . . 0.0 110.934 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 910' ' ' PRO . . . . . 0.538 ' O ' ' HG2' ' A' ' 915' ' ' GLN . 58.0 Cg_endo -88.78 -154.77 0.05 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.249 2.633 . . . . 0.0 109.825 170.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -112.1 107.54 16.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.012 0.91 . . . . 0.0 110.548 173.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 40.3 p -101.39 -176.89 3.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.098 177.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.56 -40.14 78.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.965 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 10.9 m -85.64 -35.4 9.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 915' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 910' ' ' PRO . 5.8 tp-100 -57.17 -34.01 68.04 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.246 0.546 . . . . 0.0 110.612 -177.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -65.78 -36.17 82.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.621 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.89 -53.94 13.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.42 ' OE1' HD13 ' A' ' 986' ' ' LEU . 0.3 OUTLIER -49.09 -42.56 39.37 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.489 0.493 . . . . 0.0 111.46 176.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -75.07 -40.33 60.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.577 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.72 81.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.671 0.272 . . . . 0.0 111.053 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.08 95.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.956 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -57.72 -54.13 50.34 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.167 0.508 . . . . 0.0 110.615 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -69.93 -34.67 73.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.132 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.08 92.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.852 0.358 . . . . 0.0 110.306 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.19 89.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.425 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.04 -52.75 54.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.114 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 56.6 m -61.5 -36.43 80.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.408 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 928' ' ' ALA . . . . . 0.444 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -62.35 -43.38 98.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.769 0.319 . . . . 0.0 110.25 175.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 36.3 m -60.83 -41.48 95.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.6 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -60.66 -46.17 91.35 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.056 0.455 . . . . 0.0 110.589 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 21.6 m -66.15 -38.79 88.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.096 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 932' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.89 -44.9 99.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 120.857 0.361 . . . . 0.0 110.827 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.38 -45.93 90.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.765 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -67.89 -42.09 81.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.003 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.542 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -56.24 -46.47 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.667 -178.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 936' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 940' ' ' SER . 48.3 mt-30 -65.16 -42.94 93.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.439 -178.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -77.17 -29.56 54.54 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -90.29 -55.64 3.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -177.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 939' ' ' ALA . . . . . 0.543 ' HB2' HD12 ' A' ' 952' ' ' LEU . . . -75.65 -44.23 43.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.68 0.276 . . . . 0.0 111.606 -174.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 936' ' ' GLN . 41.5 m -87.17 -8.53 56.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.455 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . 67.86 154.76 0.14 Allowed Pre-proline 0 CA--C 1.53 0.187 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.818 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.62 11.33 1.65 Allowed 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 122.984 2.456 . . . . 0.0 112.514 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -139.91 -74.84 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.164 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -152.64 144.57 23.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 39.8 p -73.05 155.69 39.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -120.13 116.89 26.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 105.11 -146.79 16.13 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.87 -170.9 0.99 Allowed 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.521 2.148 . . . . 0.0 111.46 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 949' ' ' GLN . . . . . 0.482 ' HA ' ' HD3' ' A' ' 950' ' ' PRO . 2.3 mp0 -75.71 133.82 73.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 950' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 949' ' ' GLN . 4.9 Cg_exo -77.34 18.46 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.824 2.349 . . . . 0.0 114.093 -170.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 70.0 -46.04 0.59 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.238 0.615 . . . . 0.0 111.986 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 952' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 939' ' ' ALA . 68.3 mt -52.94 -32.12 43.98 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 122.909 0.484 . . . . 0.0 112.037 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 7.9 p -58.76 -42.73 86.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.338 0.589 . . . . 0.0 110.711 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -69.59 -46.52 66.14 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.366 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 955' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 959' ' ' VAL . 14.2 m -61.75 -42.87 99.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.079 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 34.5 t -53.21 -43.88 67.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.364 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.24 -39.7 95.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.003 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 958' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 961' ' ' GLU . . . -76.94 -32.16 57.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.226 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 963' ' ' ILE . 91.1 t -70.72 -44.89 76.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.009 0.433 . . . . 0.0 110.164 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -63.18 -22.32 66.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.305 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.537 ' HG3' ' HG2' ' A' ' 962' ' ' GLN . 13.3 pt-20 -85.44 -22.81 28.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.729 0.3 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 962' ' ' GLN . . . . . 0.773 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 88.3 mm-40 -99.37 -21.09 16.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.746 -174.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 959' ' ' VAL . 70.3 mt -55.45 -52.65 69.95 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 176.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 16.6 Cg_endo -58.28 -36.63 97.51 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.001 1.801 . . . . 0.0 112.105 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.53 -36.65 84.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.918 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.596 ' O ' HG23 ' A' ' 970' ' ' VAL . 93.5 mt -57.29 -55.75 30.78 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.061 0.458 . . . . 0.0 109.894 173.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.17 -36.33 77.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.398 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 968' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 964' ' ' PRO . 86.3 mm-40 -60.49 -40.74 92.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.177 0.513 . . . . 0.0 109.698 173.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.11 -47.83 81.34 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.578 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 966' ' ' LEU . 62.0 t -56.37 -49.74 75.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.473 0.178 . . . . 0.0 110.965 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -59.39 -36.77 76.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.664 0.269 . . . . 0.0 111.289 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -71.95 -43.76 48.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.927 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 69.4 m -69.66 -28.74 66.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.882 0.372 . . . . 0.0 111.468 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -77.1 -32.26 56.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -77.02 -43.09 35.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.575 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -126.68 84.1 63.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.31 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.48 -7.63 19.77 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.526 2.15 . . . . 0.0 111.134 173.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -82.36 -37.05 26.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.448 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 43.9 t -72.89 115.02 35.98 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.082 -174.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.415 ' O ' HD23 ' A' ' 984' ' ' LEU . 25.6 Cg_exo -62.63 -33.82 76.36 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.457 2.104 . . . . 0.0 110.818 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 30.6 m -67.96 -27.87 66.97 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.872 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -67.49 -55.75 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 983' ' ' GLN . . . . . 0.558 ' O ' HG13 ' A' ' 987' ' ' ILE . 5.4 mp0 -56.11 -49.53 73.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.17 176.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 984' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' A' ' 987' ' ' ILE . 3.7 mm? -56.71 -37.22 70.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.376 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.01 99.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.707 0.289 . . . . 0.0 110.641 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 986' ' ' LEU . . . . . 0.42 HD13 ' OE1' ' A' ' 918' ' ' GLU . 0.7 OUTLIER -68.81 -42.12 77.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 987' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 983' ' ' GLN . 78.7 mt -55.94 -48.26 78.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.371 176.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -64.09 -44.25 92.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.822 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.98 88.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.188 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.589 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 48.3 m -62.21 -46.56 88.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 991' ' ' GLN . . . . . 0.702 ' HA ' HD12 ' A' ' 994' ' ' LEU . 79.7 mt-30 -67.22 -34.66 77.96 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.224 0.535 . . . . 0.0 110.44 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 45.2 t -66.66 -24.15 66.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.417 176.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.444 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 87.5 t80 -90.65 -29.48 17.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.732 178.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 991' ' ' GLN . 91.2 mt -54.63 -45.1 73.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.63 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.861 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.4 tp-100 -59.29 -62.18 6.36 Favored Pre-proline 0 CA--C 1.544 0.733 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.163 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.861 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 32.3 Cg_exo -60.35 -41.06 52.93 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.348 2.032 . . . . 0.0 112.598 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.451 ' O ' HG23 ' A' 1001 ' ' VAL . . . -61.28 -47.75 89.2 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.045 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.58 -30.04 73.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.149 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 999' ' ' LYS . . . . . 0.576 ' HD2' ' HA ' ' A' ' 996' ' ' PRO . 65.8 mttm -61.76 -47.33 85.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.648 0.261 . . . . 0.0 110.371 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 47.5 ttp -71.63 -32.29 67.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.572 -175.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 997' ' ' GLY . 87.5 t -61.14 -48.78 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.96 0.41 . . . . 0.0 110.207 175.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.13 81.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.872 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.14 89.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.284 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' 1008 ' ' VAL . . . -61.57 -46.96 87.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 0.0 110.613 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.76 -24.79 67.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.166 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -90.92 -13.26 33.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.194 -178.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 31.9 t -102.38 2.39 36.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.055 0.455 . . . . 0.0 110.489 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.649 HG13 ' HB1' ' A' 1017 ' ' ALA . 78.4 t -71.06 -56.63 5.44 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.32 176.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1009 ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' 1008 ' ' VAL . 35.5 Cg_endo -64.77 -20.45 64.88 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.132 1.888 . . . . 0.0 113.02 -176.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 34.7 p -77.65 -10.57 59.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.052 0.453 . . . . 0.0 111.041 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.641 HG21 ' HB2' ' A' 1016 ' ' SER . 73.1 mt -95.16 111.72 26.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.142 0.496 . . . . 0.0 110.413 178.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1012 ' ' GLN . . . . . 0.428 ' CD ' ' H ' ' A' 1012 ' ' GLN . 0.2 OUTLIER -84.09 16.05 3.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.148 -178.7 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1013 ' ' ASP . . . . . 0.618 ' H ' HG22 ' A' 1011 ' ' ILE . 3.8 m-20 -96.48 -17.28 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.536 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 26.0 mp0 64.28 -56.77 0.24 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.761 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1015 ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' 1018 ' ' MET . . . -64.29 -40.56 96.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.792 0.33 . . . . 0.0 111.388 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1016 ' ' SER . . . . . 0.641 ' HB2' HG21 ' A' 1011 ' ' ILE . 16.5 m -68.33 -25.04 64.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.179 0.514 . . . . 0.0 110.261 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.649 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -77.95 -45.27 24.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.92 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1018 ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' 1015 ' ' ALA . 0.0 OUTLIER -66.13 -27.24 67.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.033 0.444 . . . . 0.0 110.054 178.339 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.78 -41.15 96.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.915 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 935' ' ' ALA . 8.9 mt -66.45 -47.41 73.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.055 176.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 15.4 t -60.06 -40.38 89.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.704 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -63.29 -36.49 83.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.075 0.464 . . . . 0.0 110.875 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1023 ' ' CYS . . . . . 0.734 ' HA ' ' ND2' ' A' 1026 ' ' ASN . 81.2 m -75.68 -41.55 53.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.821 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.79 75.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.372 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -63.2 -57.95 8.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.929 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1026 ' ' ASN . . . . . 0.734 ' ND2' ' HA ' ' A' 1023 ' ' CYS . 5.9 p30 -66.85 -34.0 76.84 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.055 -174.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 64.2 tp -72.18 -37.91 69.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.815 0.34 . . . . 0.0 110.214 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -60.65 -46.24 94.82 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.129 -0.557 . . . . 0.0 112.038 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 17.4 m -71.19 -32.61 69.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.677 0.275 . . . . 0.0 110.532 177.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.22 82.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.972 0.415 . . . . 0.0 110.138 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.32 -34.9 79.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.47 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.8 -55.02 40.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.963 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -73.21 -30.85 63.8 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.937 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 64.0 tp -62.28 -51.05 69.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.996 0.427 . . . . 0.0 110.182 175.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -62.99 -41.1 99.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.564 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 33.4 m -63.63 -41.18 98.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.961 0.41 . . . . 0.0 110.55 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.75 -48.12 75.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.22 -37.9 87.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -48.95 79.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.093 0.473 . . . . 0.0 110.007 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -80.66 -6.09 57.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.967 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -87.7 -27.86 22.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.107 0.48 . . . . 0.0 110.109 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -65.56 -37.12 85.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.113 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -89.74 9.57 26.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.132 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.347 -0.835 . . . . 0.0 109.939 177.651 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 13.7 tt -97.27 146.11 8.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.897 0.379 . . . . 0.0 110.282 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 909' ' ' ASP . . . . . 0.471 ' HA ' ' HD3' ' A' ' 910' ' ' PRO . 29.2 t70 -131.52 125.43 20.64 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.665 178.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 910' ' ' PRO . . . . . 0.858 ' HB3' ' HB3' ' A' ' 916' ' ' ARG . 2.7 Cg_exo -75.46 86.05 1.51 Allowed 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.656 2.238 . . . . 0.0 111.408 175.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -58.81 -61.75 2.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.188 0.518 . . . . 0.0 109.952 177.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 67.8 p -106.7 172.05 7.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.13 177.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.587 HD13 ' HA ' ' A' 1041 ' ' ALA . 96.9 mt -69.4 -35.12 75.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.78 0.324 . . . . 0.0 110.453 178.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 914' ' ' VAL . . . . . 0.451 HG11 ' HG3' ' A' ' 983' ' ' GLN . 34.1 m -74.33 -22.26 17.84 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.679 176.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -67.37 -40.29 85.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.977 0.418 . . . . 0.0 110.65 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 916' ' ' ARG . . . . . 0.858 ' HB3' ' HB3' ' A' ' 910' ' ' PRO . 19.5 ptp180 -72.68 -25.48 61.27 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 917' ' ' LEU . . . . . 0.422 ' HB3' HD22 ' A' ' 986' ' ' LEU . 19.3 mt -72.62 -41.41 65.57 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.61 174.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.631 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 19.9 mm-40 -44.8 -66.03 0.45 Allowed 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 123.77 0.669 . . . . 0.0 111.296 178.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -56.61 -43.65 80.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.167 -176.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.98 93.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.301 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.71 82.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.291 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 922' ' ' LYS . . . . . 0.631 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 42.0 mttm -60.76 -42.65 97.86 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -63.29 -53.31 54.88 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.746 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 924' ' ' ALA . . . . . 0.442 ' HB1' ' CE2' ' A' ' 993' ' ' PHE . . . -51.61 -48.02 63.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.004 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.16 94.79 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.958 0.409 . . . . 0.0 111.102 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.68 -56.24 17.25 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.467 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 9.1 t -67.49 -32.54 73.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.916 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 928' ' ' ALA . . . . . 0.627 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.09 -45.16 95.84 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.799 0.333 . . . . 0.0 110.63 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 25.7 m -59.39 -39.7 84.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.186 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 930' ' ' GLN . . . . . 0.428 ' HA ' ' OE1' ' A' ' 930' ' ' GLN . 15.2 mm-40 -67.79 -44.52 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.114 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 931' ' ' THR . . . . . 0.463 ' OG1' ' HB3' ' A' 1023 ' ' CYS . 21.1 m -63.43 -40.96 98.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 928' ' ' ALA . 75.9 mt -61.86 -44.77 99.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.74 0.305 . . . . 0.0 110.456 177.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.09 -45.39 93.1 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.133 0.492 . . . . 0.0 110.768 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.93 82.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.939 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.453 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -62.58 -49.98 73.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.581 -177.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 936' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' A' ' 936' ' ' GLN . 16.1 mm-40 -64.32 -28.94 70.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.738 -177.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -87.56 -24.55 23.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.888 0.375 . . . . 0.0 111.184 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 938' ' ' ALA . . . . . 0.501 ' HB1' HD13 ' A' 1011 ' ' ILE . . . -79.45 -25.9 41.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.085 0.469 . . . . 0.0 110.64 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -78.88 86.96 4.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.009 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 14.3 p -78.96 -9.04 59.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.748 174.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 941' ' ' ALA . . . . . 0.461 ' HA ' ' HD2' ' A' ' 942' ' ' PRO . . . 59.78 90.98 0.08 OUTLIER Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 114.605 -1.18 . . . . 0.0 112.01 176.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 942' ' ' PRO . . . . . 0.805 ' HB2' ' HB3' ' A' ' 945' ' ' SER . 12.2 Cg_endo -57.52 114.65 2.04 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.396 2.064 . . . . 0.0 110.229 172.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 943' ' ' LYS . . . . . 0.531 ' HD2' ' N ' ' A' ' 943' ' ' LYS . 11.7 mptt -59.38 -32.23 69.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.735 -165.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -112.25 1.36 16.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.715 0.293 . . . . 0.0 111.679 -177.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 945' ' ' SER . . . . . 0.805 ' HB3' ' HB2' ' A' ' 942' ' ' PRO . 28.3 t -113.9 -30.87 6.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.868 0.366 . . . . 0.0 111.105 -176.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -87.67 131.1 34.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.776 0.322 . . . . 0.0 110.415 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . -104.22 178.09 24.34 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.685 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.75 125.27 18.08 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.894 2.396 . . . . 0.0 112.47 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 64.28 83.04 0.2 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.322 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -67.85 154.31 73.32 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.733 2.289 . . . . 0.0 110.98 172.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.812 HD12 ' HB2' ' A' 1003 ' ' ALA . 0.2 OUTLIER -57.46 -42.05 81.77 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.185 0.303 . . . . 0.0 111.149 -175.822 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.75 -56.81 17.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.731 0.3 . . . . 0.0 111.074 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 953' ' ' VAL . . . . . 0.534 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 48.5 t -63.6 -38.55 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.229 -176.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -63.1 -50.16 71.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.51 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 17.6 m -69.5 -39.11 77.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.462 -177.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 956' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 17.2 p -63.16 -29.58 70.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.492 0.187 . . . . 0.0 111.05 -175.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 961' ' ' GLU . 54.8 mtmt -69.64 -42.98 73.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.753 0.311 . . . . 0.0 110.472 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.0 97.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.167 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 963' ' ' ILE . 94.9 t -64.87 -42.02 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.17 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.57 -23.85 64.98 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 66.0 mt-10 -82.96 -23.98 33.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.908 0.385 . . . . 0.0 110.631 178.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 962' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -91.42 -23.6 19.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.453 -173.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.704 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 70.9 mt -56.59 -54.42 53.77 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.704 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 23.9 Cg_exo -64.78 -26.48 60.19 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 121.907 1.738 . . . . 0.0 111.948 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 68.0 mt -70.0 -43.39 71.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.665 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.646 ' O ' HG23 ' A' ' 970' ' ' VAL . 83.8 mt -54.23 -58.62 6.67 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.348 175.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.57 -32.43 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.141 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -60.82 -45.71 93.39 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.19 -46.51 90.77 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.996 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 966' ' ' LEU . 41.8 t -54.94 -61.79 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.537 178.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.1 -31.39 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.587 -177.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -72.38 -39.35 57.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.226 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 28.5 m -69.58 -31.49 69.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.925 0.393 . . . . 0.0 110.533 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 84.0 mt-30 -64.56 -46.34 83.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.335 174.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.87 71.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.404 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 976' ' ' GLN . . . . . 0.455 ' HB3' ' HB2' ' A' ' 979' ' ' SER . 48.8 mt-30 -123.71 84.03 53.86 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.981 -178.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -78.54 -15.64 13.74 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.904 2.403 . . . . 0.0 112.301 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -98.43 -37.19 9.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.455 ' HB2' ' HB3' ' A' ' 976' ' ' GLN . 18.3 m -68.3 114.77 23.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 -176.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -57.51 -32.87 95.41 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.4 2.733 . . . . 0.0 113.436 -175.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 10.0 t -65.42 -29.28 69.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.755 0.312 . . . . 0.0 110.418 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -71.11 -43.81 66.9 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 983' ' ' GLN . . . . . 0.451 ' HG3' HG11 ' A' ' 914' ' ' VAL . 2.0 mp0 -59.63 -49.68 76.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.117 175.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.06 -30.89 69.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.011 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -64.07 -49.79 70.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.622 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 986' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 917' ' ' LEU . 0.6 OUTLIER -62.97 -49.37 74.98 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.004 0.43 . . . . 0.0 110.092 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 987' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 983' ' ' GLN . 72.5 mt -60.23 -51.36 73.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.415 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.11 96.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.345 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.97 89.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.719 0.295 . . . . 0.0 110.844 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.524 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 45.9 m -60.28 -50.21 74.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.691 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 991' ' ' GLN . . . . . 0.479 ' HA ' HD12 ' A' ' 994' ' ' LEU . 95.7 mt-30 -65.08 -41.13 95.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.136 0.493 . . . . 0.0 110.647 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 35.9 t -67.91 -13.56 62.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.025 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.627 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 80.3 t80 -96.23 -33.77 11.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.775 0.321 . . . . 0.0 110.59 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 990' ' ' SER . 94.5 mt -56.11 -51.01 69.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.022 -177.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.486 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 9.4 tp-100 -62.47 -56.34 31.14 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -174.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.486 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 55.5 Cg_endo -71.74 -33.91 9.68 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.725 1.617 . . . . 0.0 112.266 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.48 ' O ' HG23 ' A' 1001 ' ' VAL . . . -64.2 -40.49 98.05 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.787 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.49 -32.55 81.56 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.174 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.06 -32.55 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.942 -0.152 . . . . 0.0 110.817 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 46.5 ttp -76.83 -31.49 56.92 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 997' ' ' GLY . 59.6 t -63.83 -48.52 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.66 172.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.892 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1003 ' ' ALA . . . . . 0.812 ' HB2' HD12 ' A' ' 951' ' ' LEU . . . -61.62 -41.7 97.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.622 ' O ' HG23 ' A' 1008 ' ' VAL . . . -65.39 -46.54 79.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.684 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1005 ' ' LYS . . . . . 0.477 ' HE3' HG12 ' A' 1001 ' ' VAL . 98.6 mttt -60.56 -27.82 67.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.343 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -88.25 -24.78 23.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.715 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1007 ' ' SER . . . . . 0.454 ' O ' HG13 ' A' 1011 ' ' ILE . 7.0 p -87.77 -31.53 19.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -177.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' 1004 ' ' ALA . 69.4 t -49.97 -54.64 30.72 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1009 ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' 1008 ' ' VAL . 43.3 Cg_endo -68.4 -21.32 40.98 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.79 1.66 . . . . 0.0 113.031 -178.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 47.0 p -88.27 -18.7 28.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.701 0.286 . . . . 0.0 111.414 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.501 HD13 ' HB1' ' A' ' 938' ' ' ALA . 85.6 mt -90.69 119.8 38.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.073 0.463 . . . . 0.0 110.278 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -80.64 -15.87 55.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.131 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -78.45 107.84 11.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -67.71 -31.91 72.18 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.414 -173.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.6 93.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.038 0.447 . . . . 0.0 110.966 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1016 ' ' SER . . . . . 0.419 ' HB3' ' CB ' ' A' ' 938' ' ' ALA . 15.0 m -72.8 -46.31 53.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.56 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.72 -46.64 88.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.959 -176.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 90.1 mmm -70.1 -34.31 72.97 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.233 -0.187 . . . . 0.0 111.313 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -68.82 -38.26 79.74 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.505 -0.478 . . . . 0.0 109.776 177.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.453 HD21 ' HA ' ' A' ' 935' ' ' ALA . 16.9 mt -61.42 -46.25 90.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.401 172.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 46.0 t -55.93 -45.16 78.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.577 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -60.59 -53.06 62.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.922 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1023 ' ' CYS . . . . . 0.463 ' HB3' ' OG1' ' A' ' 931' ' ' THR . 64.5 m -61.72 -48.98 78.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.135 -177.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.09 -29.04 70.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.872 0.367 . . . . 0.0 111.182 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -69.42 -52.4 27.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.23 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -67.33 -42.66 83.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.946 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1027 ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' 1031 ' ' LEU . 51.7 tp -62.21 -41.69 98.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.703 0.287 . . . . 0.0 110.418 178.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.08 -47.49 90.53 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.082 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 8.1 m -69.86 -33.48 72.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.843 0.354 . . . . 0.0 110.734 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -63.53 -40.45 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.865 0.364 . . . . 0.0 110.061 177.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1031 ' ' LEU . . . . . 0.452 HD22 HD23 ' A' ' 994' ' ' LEU . 94.8 mt -65.57 -36.62 84.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.068 174.416 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.76 92.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.353 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -82.2 -16.46 49.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.213 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 52.2 tp -83.14 -47.78 11.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.893 0.378 . . . . 0.0 110.555 177.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1035 ' ' ARG . . . . . 0.469 ' HA ' HD11 ' A' ' 994' ' ' LEU . 38.4 ttp180 -55.19 -52.75 62.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.184 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1036 ' ' THR . . . . . 0.48 ' O ' ' HG2' ' A' 1040 ' ' LYS . 7.0 m -62.94 -36.43 83.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.72 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1037 ' ' ALA . . . . . 0.525 ' HB1' ' HG3' ' A' ' 916' ' ' ARG . . . -67.61 -44.38 78.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.178 -178.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.8 76.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.58 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -62.43 -44.71 95.77 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.801 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1040 ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' 1036 ' ' THR . 72.4 mmtt -60.29 -47.39 86.24 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.795 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1041 ' ' ALA . . . . . 0.587 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -62.89 -22.77 66.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.191 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -92.15 -45.58 8.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.333 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1043 ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' A' 1040 ' ' LYS . 11.7 pt-20 -74.86 -31.54 61.66 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -172.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1044 ' ' ALA . . . . . 0.574 ' HB3' HD11 ' A' ' 913' ' ' LEU . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.78 -177.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 N-CA-C 111.635 -0.586 . . . . 0.0 111.635 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 64.1 mt -88.43 109.95 20.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 909' ' ' ASP . . . . . 0.491 ' HB3' ' HD2' ' A' ' 911' ' ' PHE . 30.7 m-20 -83.01 130.2 58.4 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.556 -176.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -86.63 9.18 4.1 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.752 2.301 . . . . 0.0 111.425 173.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 911' ' ' PHE . . . . . 0.491 ' HD2' ' HB3' ' A' ' 909' ' ' ASP . 92.4 m-85 -81.92 170.14 15.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.845 -176.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 3.6 t -71.29 162.44 29.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.543 0.687 . . . . 0.0 111.821 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.693 HD23 HH11 ' A' ' 916' ' ' ARG . 85.8 mt -60.35 -30.89 69.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.78 -177.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 914' ' ' VAL . . . . . 0.449 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 13.5 m -78.76 -24.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.941 -178.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -49.35 37.46 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 916' ' ' ARG . . . . . 0.693 HH11 HD23 ' A' ' 913' ' ' LEU . 8.4 ptp85 -62.26 -29.11 70.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.167 175.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 917' ' ' LEU . . . . . 0.675 HD22 HD22 ' A' ' 986' ' ' LEU . 0.9 OUTLIER -66.49 -51.75 53.43 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.398 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.552 ' HB3' ' HE3' ' A' ' 922' ' ' LYS . 54.1 mt-10 -51.11 -49.7 60.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.734 176.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -56.26 -37.71 70.15 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.144 -177.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -80.52 -37.46 31.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.161 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.55 -42.31 92.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.446 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 922' ' ' LYS . . . . . 0.552 ' HE3' ' HB3' ' A' ' 918' ' ' GLU . 80.8 mttt -60.94 -47.67 85.33 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.51 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -71.16 -32.07 68.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.021 -176.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.38 -46.98 77.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.935 0.398 . . . . 0.0 110.014 176.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 925' ' ' ALA . . . . . 0.4 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.4 -43.82 92.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.62 177.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.85 -52.72 48.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.312 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 6.3 t -62.35 -38.0 87.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.978 -175.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 928' ' ' ALA . . . . . 0.548 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -60.84 -42.78 98.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.703 177.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 29.4 m -62.3 -37.09 84.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.539 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 930' ' ' GLN . . . . . 0.412 ' HA ' ' OE1' ' A' ' 930' ' ' GLN . 9.0 mm-40 -70.48 -38.24 74.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.357 178.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 931' ' ' THR . . . . . 0.417 HG23 ' SG ' ' A' 1023 ' ' CYS . 26.8 m -65.12 -41.68 94.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.258 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.736 HG23 ' SG ' ' A' ' 956' ' ' CYS . 73.8 mt -57.84 -48.57 83.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.595 176.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -55.71 -49.12 73.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.045 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.55 94.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.96 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.69 94.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.764 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 936' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 92.0 mt-30 -70.3 -29.47 66.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.67 -177.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -86.71 -40.63 14.87 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 938' ' ' ALA . . . . . 0.61 ' HB1' HD13 ' A' 1011 ' ' ILE . . . -79.2 -43.85 23.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.651 0.262 . . . . 0.0 111.067 -178.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 939' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 940' ' ' SER . . . 58.83 -92.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 123.78 0.832 . . . . 0.0 112.261 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 940' ' ' SER . . . . . 0.735 ' HA ' HG12 ' A' 1011 ' ' ILE . 32.3 t 174.88 -29.68 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 941' ' ' ALA . . . . . 0.502 ' HB2' ' H ' ' A' ' 947' ' ' GLY . . . -64.88 114.25 14.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -174.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 942' ' ' PRO . . . . . 0.688 ' HB3' ' HB2' ' A' 1012 ' ' GLN . 76.3 Cg_endo -80.96 -9.04 13.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.7 2.266 . . . . 0.0 112.348 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -146.58 -80.73 0.15 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.627 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -147.75 -70.29 0.23 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.353 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 9.1 m -65.25 94.08 0.15 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.582 -176.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 946' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 941' ' ' ALA . . . 175.75 -54.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.084 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 947' ' ' GLY . . . . . 0.502 ' H ' ' HB2' ' A' ' 941' ' ' ALA . . . 62.73 -171.34 11.53 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 114.953 -1.021 . . . . 0.0 113.16 178.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -75.59 126.57 9.68 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.821 2.347 . . . . 0.0 110.716 173.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -60.13 131.61 89.76 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.052 -177.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.04 -41.71 62.84 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.36 2.707 . . . . 0.0 112.924 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.16 -39.46 89.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 952' ' ' LEU . . . . . 0.449 ' HA ' ' HB1' ' A' 1003 ' ' ALA . 59.2 tp -63.97 -45.92 86.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.334 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.77 -44.87 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -58.96 -51.09 71.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 18.1 p -66.11 -36.6 83.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.73 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 956' ' ' CYS . . . . . 0.736 ' SG ' HG23 ' A' ' 932' ' ' ILE . 38.6 t -55.61 -48.71 74.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 176.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' A' ' 961' ' ' GLU . 99.1 mttt -71.49 -40.48 70.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.763 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -56.14 -48.33 76.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 963' ' ' ILE . 78.8 t -64.08 -41.74 93.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -58.24 -27.26 63.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.694 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 14.8 mm-40 -83.25 -26.47 30.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.131 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 962' ' ' GLN . . . . . 0.736 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 85.7 mm-40 -88.06 -26.49 22.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.331 -175.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.601 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 81.9 mt -52.67 -51.41 73.82 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.601 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 32.3 Cg_exo -57.89 -30.37 89.39 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.127 1.885 . . . . 0.0 112.591 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 67.8 mt -68.3 -38.79 82.0 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.544 0.211 . . . . 0.0 110.768 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.608 ' O ' HG23 ' A' ' 970' ' ' VAL . 82.2 mt -57.24 -60.82 3.05 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.064 0.459 . . . . 0.0 110.085 175.221 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 967' ' ' VAL . . . . . 0.65 ' O ' ' HG2' ' A' ' 971' ' ' ARG . 93.7 t -58.97 -41.2 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.308 -176.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.62 -41.58 86.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.018 0.437 . . . . 0.0 110.078 176.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -65.96 -43.99 92.56 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.76 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 966' ' ' LEU . 46.6 t -56.8 -60.12 2.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.831 0.348 . . . . 0.0 110.619 178.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 971' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 967' ' ' VAL . 10.8 ptp180 -63.85 -33.55 75.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.179 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -66.59 -38.51 93.37 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.137 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 92.6 p -74.1 -20.34 60.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.69 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 88.9 mt-30 -84.67 -31.83 23.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.476 176.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -66.16 -52.68 45.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.618 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -124.79 77.28 65.2 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.801 177.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -73.93 -14.42 23.88 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.413 2.075 . . . . 0.0 111.363 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.57 -16.53 61.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.962 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 45.7 t -102.68 117.56 60.51 Favored Pre-proline 0 N--CA 1.448 -0.563 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.409 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.474 ' O ' ' HG3' ' A' ' 983' ' ' GLN . 28.3 Cg_endo -64.27 -32.59 61.77 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.397 2.065 . . . . 0.0 112.123 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 6.3 p -68.28 -23.45 64.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.83 0.348 . . . . 0.0 110.901 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -73.73 -39.15 64.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.572 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 983' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 980' ' ' PRO . 0.9 OUTLIER -77.33 -28.79 53.27 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.463 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 984' ' ' LEU . . . . . 0.569 HD13 HD12 ' A' ' 987' ' ' ILE . 2.6 mm? -65.66 -33.68 76.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.058 173.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.85 -30.3 71.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.461 175.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 986' ' ' LEU . . . . . 0.675 HD22 HD22 ' A' ' 917' ' ' LEU . 0.5 OUTLIER -68.78 -49.57 57.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.496 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 987' ' ' ILE . . . . . 0.569 HD12 HD13 ' A' ' 984' ' ' LEU . 68.0 mt -57.77 -49.49 80.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.079 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -56.37 -48.2 77.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.073 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.05 96.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.052 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.599 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 46.1 m -59.97 -50.02 75.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 991' ' ' GLN . . . . . 0.732 ' HA ' HD12 ' A' ' 994' ' ' LEU . 76.5 mt-30 -69.04 -30.57 68.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 26.7 t -68.54 -26.8 65.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.197 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.548 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 88.5 t80 -86.57 -33.92 20.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.862 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 991' ' ' GLN . 89.8 mt -55.05 -42.09 72.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.613 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.819 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 49.0 tt0 -59.13 -62.13 6.45 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.994 -177.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.819 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 14.2 Cg_exo -70.23 -35.28 11.54 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.945 1.763 . . . . 0.0 111.978 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.66 -46.16 94.99 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.147 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -63.97 -29.24 74.29 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.24 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -73.58 -32.58 64.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.522 0.201 . . . . 0.0 111.009 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1000 ' ' MET . . . . . 0.454 ' SD ' ' HA ' ' A' ' 956' ' ' CYS . 50.9 ttp -73.9 -30.21 62.48 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 997' ' ' GLY . 54.7 t -62.25 -46.9 95.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 173.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -63.92 -44.53 92.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.654 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1003 ' ' ALA . . . . . 0.449 ' HB1' ' HA ' ' A' ' 952' ' ' LEU . . . -61.52 -44.83 96.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.145 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.22 -48.22 82.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.944 0.402 . . . . 0.0 110.633 178.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -61.55 -33.47 73.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.153 178.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -79.92 -7.59 58.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.25 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1007 ' ' SER . . . . . 0.653 ' O ' HG13 ' A' 1011 ' ' ILE . 21.4 m -97.94 -25.74 14.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.063 0.459 . . . . 0.0 110.121 178.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.705 HG13 ' HB1' ' A' 1017 ' ' ALA . 82.2 t -51.56 -54.29 40.87 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.897 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1009 ' ' PRO . . . . . 0.475 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 81.9 Cg_endo -76.75 -8.71 18.16 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 121.925 1.75 . . . . 0.0 113.942 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 16.0 p -99.62 -18.96 17.07 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.706 -177.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.735 HG12 ' HA ' ' A' ' 940' ' ' SER . 76.7 mt -66.54 -32.04 56.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 120.941 0.401 . . . . 0.0 111.306 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1012 ' ' GLN . . . . . 0.688 ' HB2' ' HB3' ' A' ' 942' ' ' PRO . 15.4 mm100 60.57 29.12 18.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.092 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1013 ' ' ASP . . . . . 0.507 ' HB3' HG22 ' A' 1011 ' ' ILE . 27.5 t70 -138.5 109.28 6.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.252 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -52.4 -45.26 65.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.039 -175.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.91 -55.18 38.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.514 -177.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1016 ' ' SER . . . . . 0.501 ' HB2' HG21 ' A' 1011 ' ' ILE . 15.3 m -65.9 -35.65 81.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.889 0.376 . . . . 0.0 110.805 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.705 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -63.69 -47.45 81.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.091 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 24.8 mmt -67.01 -30.09 70.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -63.36 -48.74 76.7 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.614 ' HA ' ' SG ' ' A' 1023 ' ' CYS . 13.9 mt -63.62 -39.88 95.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.147 177.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 42.4 t -59.24 -41.65 89.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.468 177.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -66.17 -48.95 69.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.365 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1023 ' ' CYS . . . . . 0.614 ' SG ' ' HA ' ' A' 1020 ' ' LEU . 25.8 p -66.01 -38.86 89.53 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.881 -177.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.41 72.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.933 0.397 . . . . 0.0 110.627 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -65.89 -49.94 66.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.909 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.16 -50.13 73.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.684 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.79 -38.46 88.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.811 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.71 -47.37 90.61 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.528 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.4 m -73.66 -33.25 64.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.911 0.386 . . . . 0.0 110.759 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.69 96.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.181 177.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1031 ' ' LEU . . . . . 0.476 HD22 HD23 ' A' ' 994' ' ' LEU . 96.1 mt -68.51 -33.93 75.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.605 176.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.3 -57.52 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.835 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.83 -20.08 50.51 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.979 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 67.7 tp -66.11 -48.1 71.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.292 0.568 . . . . 0.0 109.575 174.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -65.39 -23.53 66.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.543 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 39.6 m -83.61 -50.28 8.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.075 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -62.95 -47.06 84.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.443 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1038 ' ' ALA . . . . . 0.421 ' HB1' HG23 ' A' ' 987' ' ' ILE . . . -62.96 -34.7 78.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.589 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1039 ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' 1043 ' ' GLU . 52.4 tt0 -65.97 -50.32 64.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.261 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -61.45 -35.14 76.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.42 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1041 ' ' ALA . . . . . 0.495 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -72.56 -33.47 66.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -74.99 -39.71 61.1 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.362 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1043 ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' 1039 ' ' GLN . 12.4 pt-20 -81.81 6.39 15.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 111.478 -178.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.974 0 CA-C-O 118.562 -0.733 . . . . 0.0 110.04 175.431 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 5.8 tp -82.84 78.47 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 122.102 0.953 . . . . 0.0 110.489 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -124.89 86.56 56.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.79 176.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -89.75 -160.61 0.1 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.057 2.505 . . . . 0.0 111.804 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -117.1 154.75 30.48 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.275 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 38.7 p -86.74 175.86 8.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.465 -176.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.97 -40.62 91.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.147 175.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 914' ' ' VAL . . . . . 0.465 HG11 ' HG2' ' A' ' 983' ' ' GLN . 35.5 m -69.16 -27.18 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -62.58 -36.16 81.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.675 0.274 . . . . 0.0 110.661 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -67.29 -41.55 85.25 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 917' ' ' LEU . . . . . 0.444 ' CB ' HD13 ' A' ' 986' ' ' LEU . 73.6 mt -60.35 -49.25 78.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.566 177.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -55.91 -52.35 64.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.084 0.469 . . . . 0.0 110.174 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -55.02 -51.0 67.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.173 -178.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -71.0 -42.49 69.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.61 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.57 96.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -177.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -65.04 -41.62 95.02 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.101 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -79.24 -27.73 42.43 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.709 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.22 -47.96 66.45 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.32 80.66 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.591 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -66.14 -57.12 8.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.888 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 69.4 m -59.53 -36.31 75.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.472 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 928' ' ' ALA . . . . . 0.48 ' HB1' HG11 ' A' ' 959' ' ' VAL . . . -61.15 -52.21 65.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.805 178.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 17.7 m -60.17 -38.99 84.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.458 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -65.12 -41.43 94.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.054 177.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 28.2 m -67.2 -35.31 79.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.527 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.573 HG23 ' HB3' ' A' ' 956' ' ' CYS . 91.6 mt -61.82 -48.77 87.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.99 0.424 . . . . 0.0 110.197 175.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.54 95.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.582 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -66.15 -45.54 80.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.965 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.62 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -60.23 -34.06 73.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.394 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -97.38 9.12 43.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.628 -177.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -126.58 -35.29 2.36 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.183 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -68.43 -44.25 75.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.747 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -71.8 89.17 1.04 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.161 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 14.2 m -82.44 116.35 21.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.563 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -89.1 117.05 67.87 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.075 -178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -85.33 10.34 3.76 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.882 2.388 . . . . 0.0 111.896 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -174.56 -163.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.566 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -49.72 -51.33 39.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.58 0.229 . . . . 0.0 110.645 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 11.4 t 73.32 -53.34 0.7 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.638 0.775 . . . . 0.0 112.173 171.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -77.12 82.14 3.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.018 0.437 . . . . 0.0 111.715 -175.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . -78.94 -77.94 0.87 Allowed Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 171.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -76.61 154.03 34.77 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.407 2.071 . . . . 0.0 110.431 167.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 949' ' ' GLN . . . . . 0.404 ' HA ' ' HD3' ' A' ' 950' ' ' PRO . 8.9 pt20 -56.27 121.03 39.51 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-O 120.926 0.393 . . . . 0.0 111.178 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 950' ' ' PRO . . . . . 0.607 ' O ' ' HG2' ' A' ' 954' ' ' GLN . 16.7 Cg_exo -68.12 125.03 12.45 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.715 2.277 . . . . 0.0 111.41 176.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.655 HD12 ' HB2' ' A' 1003 ' ' ALA . 0.2 OUTLIER -60.79 -29.76 69.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.293 -177.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 83.4 mt -53.04 -69.48 0.11 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.445 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 953' ' ' VAL . . . . . 0.531 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 21.0 m -59.23 -36.53 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -174.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 954' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' A' ' 950' ' ' PRO . 65.2 mm-40 -61.38 -41.28 96.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.848 0.356 . . . . 0.0 110.504 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 955' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 959' ' ' VAL . 19.7 m -75.09 -41.04 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.376 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 956' ' ' CYS . . . . . 0.573 ' HB3' HG23 ' A' ' 932' ' ' ILE . 88.4 m -53.73 -46.28 70.79 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.398 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.577 ' O ' ' HG2' ' A' ' 961' ' ' GLU . 8.6 mtmp? -62.63 -44.71 95.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.568 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.5 99.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.627 ' O ' HG13 ' A' ' 963' ' ' ILE . 93.1 t -63.73 -47.2 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.341 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 960' ' ' ALA . . . . . 0.422 ' HA ' HD12 ' A' ' 963' ' ' ILE . . . -59.35 -27.42 65.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.87 -177.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 22.6 mm-40 -73.44 -34.17 65.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 111.108 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 962' ' ' GLN . . . . . 0.43 ' HA ' ' OE1' ' A' ' 962' ' ' GLN . 14.3 mm-40 -90.67 -20.84 22.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.097 -173.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' ' 959' ' ' VAL . 85.1 mt -55.35 -55.3 41.3 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 16.1 Cg_endo -58.46 -30.57 91.95 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.386 2.058 . . . . 0.0 112.517 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 78.2 mt -77.48 -37.09 52.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.0 0.429 . . . . 0.0 110.386 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.541 ' O ' HG23 ' A' ' 970' ' ' VAL . 46.4 tp -62.61 -50.63 70.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.649 176.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 967' ' ' VAL . . . . . 0.449 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 98.5 t -64.61 -34.25 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.838 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 968' ' ' GLN . . . . . 0.438 ' HA ' ' OE1' ' A' ' 968' ' ' GLN . 6.8 tp60 -61.11 -45.53 94.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 176.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -58.27 -40.42 93.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.564 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 966' ' ' LEU . 60.1 t -61.61 -45.49 98.55 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-O 120.63 0.252 . . . . 0.0 110.505 176.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 971' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 967' ' ' VAL . 19.3 mtp180 -56.74 -50.17 73.03 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.327 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -61.55 -32.73 82.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.005 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 50.4 m -78.5 -33.35 48.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.702 0.287 . . . . 0.0 111.183 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 56.7 mt-30 -63.3 -32.63 74.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.128 0.49 . . . . 0.0 109.941 174.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -81.45 -53.05 6.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.628 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -124.88 90.32 51.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.169 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.45 -25.39 13.12 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 122.55 2.167 . . . . 0.0 112.162 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -87.39 -5.01 59.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.545 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 33.4 t -75.07 122.0 86.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.078 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.43 -34.91 97.3 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.032 2.488 . . . . 0.0 111.672 174.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 13.1 t -67.42 -41.88 84.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.226 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -68.96 -44.66 72.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.644 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 983' ' ' GLN . . . . . 0.465 ' HG2' HG11 ' A' ' 914' ' ' VAL . 60.4 mt-30 -56.08 -51.55 67.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.436 175.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.75 -40.53 92.8 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.764 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -57.96 -49.22 77.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 986' ' ' LEU . . . . . 0.444 HD13 ' CB ' ' A' ' 917' ' ' LEU . 19.6 mt -56.22 -58.34 8.36 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.006 176.572 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 987' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' 1042 ' ' GLN . 61.7 mt -57.12 -46.6 84.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.566 -175.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -67.64 -48.76 65.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.275 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.87 -34.04 75.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.95 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.688 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 69.3 m -61.65 -49.27 77.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.622 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 991' ' ' GLN . . . . . 0.59 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.7 mt-30 -66.12 -37.04 84.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.049 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 50.7 m -75.88 -5.96 48.53 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.943 0.402 . . . . 0.0 111.214 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -102.4 -33.51 9.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.02 0.438 . . . . 0.0 110.012 177.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 990' ' ' SER . 73.3 mt -58.34 -42.97 88.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.398 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.827 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 7.6 tp60 -62.19 -59.27 13.52 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.553 -177.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.827 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 37.1 Cg_exo -61.37 -38.83 61.5 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.944 1.763 . . . . 0.0 111.958 177.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.65 -49.39 79.14 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.961 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.27 -34.81 86.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.207 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 999' ' ' LYS . . . . . 0.461 ' HE2' ' HG3' ' A' ' 995' ' ' GLN . 67.8 mttm -60.19 -44.15 95.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.316 . . . . 0.0 110.695 176.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 49.3 ttp -74.69 -31.7 61.97 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.52 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 997' ' ' GLY . 96.6 t -60.71 -49.18 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.1 85.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.704 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1003 ' ' ALA . . . . . 0.655 ' HB2' HD12 ' A' ' 951' ' ' LEU . . . -59.06 -45.05 91.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.185 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.65 -51.27 70.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.725 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.18 -32.92 71.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.415 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -78.88 -23.76 44.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1007 ' ' SER . . . . . 0.515 ' O ' HG13 ' A' 1011 ' ' ILE . 23.1 t -86.54 -27.78 23.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.974 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' 1004 ' ' ALA . 69.7 t -47.47 -52.07 39.38 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.55 -14.36 27.59 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 121.761 1.64 . . . . 0.0 113.206 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 34.2 p -97.76 4.09 49.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.837 0.351 . . . . 0.0 111.698 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.574 HD11 HD12 ' A' 1020 ' ' LEU . 67.8 mt -88.87 132.1 34.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.848 0.356 . . . . 0.0 110.085 177.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -64.64 -31.69 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.573 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1013 ' ' ASP . . . . . 0.458 ' H ' HG22 ' A' 1011 ' ' ILE . 26.7 t70 -102.14 124.82 48.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.96 0.409 . . . . 0.0 110.768 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.62 -38.28 86.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.78 -176.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.16 82.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.63 0.252 . . . . 0.0 111.209 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1016 ' ' SER . . . . . 0.568 ' O ' ' HB3' ' A' 1019 ' ' GLN . 6.8 p -69.62 -25.92 64.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.824 0.345 . . . . 0.0 110.941 177.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.564 ' HA ' HD12 ' A' 1011 ' ' ILE . . . -66.54 -41.32 88.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.294 0.569 . . . . 0.0 110.403 174.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 93.7 mmm -70.92 -19.9 62.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.624 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1019 ' ' GLN . . . . . 0.568 ' HB3' ' O ' ' A' 1016 ' ' SER . 7.4 tt0 -63.09 -49.04 76.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.059 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' ' 935' ' ' ALA . 15.4 mt -64.76 -40.44 95.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.684 176.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 20.1 m -58.29 -43.78 88.2 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.968 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.7 -47.21 79.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.052 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 65.6 m -64.83 -44.57 89.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.098 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.39 -29.08 70.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.987 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -68.9 -47.71 65.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.977 0.417 . . . . 0.0 110.258 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -67.62 -44.04 78.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.794 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.36 -42.67 96.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.405 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.62 98.76 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.359 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 18.1 m -75.06 -31.57 61.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.003 0.43 . . . . 0.0 110.472 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -63.35 -47.05 83.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.086 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1031 ' ' LEU . . . . . 0.448 HD22 HD23 ' A' ' 994' ' ' LEU . 96.6 mt -65.05 -34.84 79.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.338 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.04 -47.38 81.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.748 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -63.4 -54.61 34.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.99 0.424 . . . . 0.0 110.471 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1034 ' ' LEU . . . . . 0.448 ' HG ' ' HB3' ' A' ' 990' ' ' SER . 22.9 tp -55.54 -47.71 75.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.575 -174.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -63.76 -43.36 96.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.056 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 26.9 m -69.76 -41.22 75.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.794 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -65.11 -44.85 87.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.952 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -66.5 -31.93 72.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.85 -46.09 89.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.969 0.414 . . . . 0.0 110.054 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.48 -45.08 76.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.963 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -70.2 -30.23 67.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.011 -175.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1042 ' ' GLN . . . . . 0.412 ' HA ' HD13 ' A' ' 987' ' ' ILE . 44.9 tt0 -60.85 -39.68 90.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.111 0.481 . . . . 0.0 111.044 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -106.73 17.17 23.57 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.299 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.324 -0.846 . . . . 0.0 110.827 -179.011 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 10.3 tt -84.42 137.23 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.81 0.305 . . . . 0.0 110.286 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -80.92 126.44 77.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.82 84.02 1.51 Allowed 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.397 2.064 . . . . 0.0 112.449 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -74.3 138.61 43.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.011 176.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 912' ' ' THR . . . . . 0.402 ' O ' ' HG3' ' A' ' 916' ' ' ARG . 58.1 p -74.78 162.81 28.33 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' A' 1041 ' ' ALA . 92.1 mt -61.94 -38.52 88.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.912 0.387 . . . . 0.0 110.39 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 914' ' ' VAL . . . . . 0.468 HG11 ' HG2' ' A' ' 983' ' ' GLN . 29.1 m -74.46 -33.61 33.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.329 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -63.52 -36.01 82.37 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.153 0.501 . . . . 0.0 109.972 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 916' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 912' ' ' THR . 35.3 mtp180 -61.28 -48.57 80.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.603 174.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 917' ' ' LEU . . . . . 0.429 ' CB ' HD13 ' A' ' 986' ' ' LEU . 83.5 mt -57.79 -47.37 82.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.694 177.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 52.4 mt-10 -50.88 -58.54 5.74 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.515 0.509 . . . . 0.0 110.95 177.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -66.89 -41.13 87.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.638 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -68.59 -44.67 73.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.31 -177.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -61.94 -33.65 74.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.372 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 922' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 97.4 mttt -60.11 -51.54 69.17 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.779 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -78.69 -29.68 45.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.107 -177.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.23 85.4 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.87 88.49 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.547 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -69.57 -51.8 32.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.045 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 23.3 t -61.54 -35.25 77.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.789 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 928' ' ' ALA . . . . . 0.596 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -59.84 -46.3 89.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 175.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 57.1 m -58.28 -40.85 83.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.586 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -65.61 -44.42 86.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.717 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 12.2 m -65.94 -42.09 90.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.716 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 928' ' ' ALA . 70.8 mt -63.22 -42.97 98.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.259 177.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -58.41 -43.23 88.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.485 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.8 81.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.704 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.21 97.44 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -176.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -64.42 -28.69 69.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.932 0.396 . . . . 0.0 110.823 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -96.82 2.76 52.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.049 0.452 . . . . 0.0 110.356 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 938' ' ' ALA . . . . . 0.49 ' HB1' HD11 ' A' 1011 ' ' ILE . . . -94.49 9.32 38.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.246 0.546 . . . . 0.0 110.609 -178.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -85.15 12.56 7.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.165 176.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 15.7 t -66.29 139.73 58.08 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.864 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . 68.33 109.3 0.03 OUTLIER Pre-proline 0 C--O 1.237 0.396 0 O-C-N 124.39 1.056 . . . . 0.0 111.278 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -49.51 114.84 1.48 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.93 2.42 . . . . 0.0 111.324 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 943' ' ' LYS . . . . . 0.472 ' NZ ' ' HB3' ' A' ' 943' ' ' LYS . 0.2 OUTLIER -109.3 162.01 14.72 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.863 -171.754 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -78.21 78.88 4.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.101 0.477 . . . . 0.0 111.238 -177.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 8.3 t -161.13 93.22 0.95 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -71.9 137.82 47.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.154 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 947' ' ' GLY . . . . . 0.443 ' HA2' ' HD3' ' A' ' 948' ' ' PRO . . . 128.7 140.66 5.0 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.681 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.443 ' HD3' ' HA2' ' A' ' 947' ' ' GLY . 22.0 Cg_exo -64.05 -24.45 66.72 Favored 'Trans proline' 0 CA--C 1.517 -0.358 0 C-N-CA 122.702 2.268 . . . . 0.0 111.894 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 949' ' ' GLN . . . . . 0.534 ' HB3' ' HB2' ' A' ' 954' ' ' GLN . 64.9 mt-30 -124.52 81.57 59.71 Favored Pre-proline 0 C--N 1.31 -1.146 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.612 176.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -58.57 -54.8 2.56 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.457 2.105 . . . . 0.0 111.372 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.662 ' HG ' ' HB2' ' A' 1003 ' ' ALA . 11.8 tp -168.19 -55.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.508 176.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 952' ' ' LEU . . . . . 0.592 HD21 ' HA ' ' A' 1004 ' ' ALA . 81.6 mt -49.19 -65.48 0.56 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.437 176.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 953' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 42.6 t -52.14 -39.75 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.489 -177.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 954' ' ' GLN . . . . . 0.534 ' HB2' ' HB3' ' A' ' 949' ' ' GLN . 0.2 OUTLIER -60.33 -53.48 57.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.885 -179.874 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 955' ' ' SER . . . . . 0.481 ' O ' HG23 ' A' ' 959' ' ' VAL . 35.7 m -69.77 -36.37 75.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.26 -177.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 98.2 m -58.76 -35.44 72.76 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.605 0.24 . . . . 0.0 111.159 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 68.1 mttm -62.56 -47.13 85.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.771 177.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.52 -46.16 73.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.005 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 963' ' ' ILE . 93.8 t -61.05 -43.69 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.327 -178.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -61.72 -26.34 67.99 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -80.39 -25.92 38.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 110.564 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 962' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -86.61 -26.03 24.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.471 -176.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 959' ' ' VAL . 77.0 mt -53.4 -55.7 31.98 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 21.5 Cg_endo -61.86 -28.91 81.89 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 122.053 1.835 . . . . 0.0 112.209 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 68.5 mt -69.32 -40.38 77.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 970' ' ' VAL . 78.8 mt -56.57 -59.0 5.64 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.121 0.486 . . . . 0.0 110.06 174.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 967' ' ' VAL . . . . . 0.598 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 57.3 t -61.6 -35.72 68.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.37 -176.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.49 -42.85 88.5 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.103 0.478 . . . . 0.0 109.83 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -67.47 -38.4 90.78 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.97 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 966' ' ' LEU . 41.2 t -62.18 -38.55 81.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 120.938 0.399 . . . . 0.0 110.881 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 971' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' A' ' 967' ' ' VAL . 23.1 mtm180 -64.94 -34.17 77.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.689 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -77.28 -43.15 16.97 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.29 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 2.8 p -66.01 -36.98 84.75 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.24 -21.39 66.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.687 0.279 . . . . 0.0 111.245 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -92.61 -52.03 4.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.04 0.448 . . . . 0.0 110.514 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -130.87 94.91 27.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.63 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.35 -4.35 14.16 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.273 1.982 . . . . 0.0 112.129 176.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.41 -1.69 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.725 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 980' ' ' PRO . 49.8 p -92.71 128.73 42.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.378 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 979' ' ' SER . 34.0 Cg_exo -57.65 -32.77 95.41 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.572 2.182 . . . . 0.0 111.935 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 18.5 m -60.94 -47.78 84.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.862 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -70.96 -37.0 72.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.816 0.341 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 983' ' ' GLN . . . . . 0.468 ' HG2' HG11 ' A' ' 914' ' ' VAL . 59.9 mt-30 -61.1 -55.42 32.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.5 177.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 984' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 984' ' ' LEU . 4.4 mm? -63.97 -31.38 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.033 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.56 83.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.844 0.355 . . . . 0.0 110.43 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 986' ' ' LEU . . . . . 0.429 HD13 ' CB ' ' A' ' 917' ' ' LEU . 35.4 mt -75.27 -57.03 4.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 175.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 987' ' ' ILE . . . . . . . . . . . . . 86.8 mt -52.14 -52.62 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.139 -174.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.64 75.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.171 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.55 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.246 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.679 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 48.8 m -64.5 -43.75 93.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 991' ' ' GLN . . . . . 0.475 ' HA ' HD12 ' A' ' 994' ' ' LEU . 77.7 mt-30 -65.85 -39.08 90.44 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.068 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 45.0 p -76.84 -5.95 50.39 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.831 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.596 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 89.5 t80 -99.85 -38.67 8.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.153 177.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.679 ' HG ' ' O ' ' A' ' 990' ' ' SER . 81.2 mt -54.34 -48.45 71.4 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.724 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.515 ' HG2' ' HE2' ' A' ' 999' ' ' LYS . 32.9 tt0 -63.14 -60.25 10.11 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.162 -174.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.408 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 35.8 Cg_endo -64.91 -32.42 54.85 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 121.721 1.614 . . . . 0.0 112.086 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.25 -47.51 89.21 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 177.002 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.87 -35.77 92.47 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.031 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 999' ' ' LYS . . . . . 0.515 ' HE2' ' HG2' ' A' ' 995' ' ' GLN . 68.7 mttm -58.21 -45.47 87.6 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 174.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 46.7 ttp -70.91 -30.55 66.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.972 -177.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 997' ' ' GLY . 94.4 t -62.16 -46.05 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.217 0.532 . . . . 0.0 109.782 173.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.51 86.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.35 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1003 ' ' ALA . . . . . 0.662 ' HB2' ' HG ' ' A' ' 951' ' ' LEU . . . -57.98 -45.93 85.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.015 177.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.592 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -56.2 -56.71 17.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.989 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -60.88 -35.69 77.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.931 -177.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -78.6 -18.0 55.23 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -176.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 36.1 m -94.03 -24.61 17.55 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.241 -0.184 . . . . 0.0 111.325 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.692 HG13 ' HB1' ' A' 1017 ' ' ALA . 70.3 t -49.19 -51.82 53.55 Favored Pre-proline 0 CA--C 1.543 0.694 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1009 ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' 1008 ' ' VAL . 18.8 Cg_endo -58.83 -21.23 56.01 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.385 2.057 . . . . 0.0 113.834 -176.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 31.6 p -90.45 -5.8 55.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.041 0.448 . . . . 0.0 111.03 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.49 HD11 ' HB1' ' A' ' 938' ' ' ALA . 51.9 mt -96.13 121.89 47.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.784 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1012 ' ' GLN . . . . . 0.437 ' HA ' ' OE1' ' A' 1012 ' ' GLN . 7.8 mm-40 -84.87 -23.11 29.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.96 0.41 . . . . 0.0 110.301 -176.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -72.59 113.61 9.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.834 174.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.504 ' O ' ' HG3' ' A' 1018 ' ' MET . 43.1 mt-30 -60.62 -49.36 77.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.3 -175.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -55.71 -52.7 62.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.121 -174.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 15.8 m -65.93 -37.07 85.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.654 0.264 . . . . 0.0 111.123 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.692 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -65.31 -44.27 88.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 110.779 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1018 ' ' MET . . . . . 0.504 ' HG3' ' O ' ' A' 1014 ' ' GLN . 66.4 mtt -63.84 -47.66 79.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.467 178.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -60.7 -44.53 96.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.753 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 62.3 tp -56.9 -47.86 79.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.014 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 47.5 t -67.5 -38.1 83.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.841 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1022 ' ' GLN . . . . . 0.414 ' OE1' ' HA ' ' A' 1022 ' ' GLN . 6.8 tp60 -66.13 -49.42 67.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 -177.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 72.5 m -62.18 -38.12 87.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.792 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.59 86.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -64.82 -40.48 95.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 110.645 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -64.81 -47.18 78.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.176 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1027 ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' A' 1031 ' ' LEU . 57.2 tp -61.57 -44.92 96.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.846 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.0 -39.51 94.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.539 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.7 m -77.27 -32.5 55.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.922 0.391 . . . . 0.0 110.653 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.52 96.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.255 0.55 . . . . 0.0 110.066 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1031 ' ' LEU . . . . . 0.537 HD22 ' HA ' ' A' ' 994' ' ' LEU . 84.4 mt -65.51 -35.28 80.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.533 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.44 -48.45 71.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.456 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -81.99 -34.71 29.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.562 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.06 -42.1 99.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.008 0.432 . . . . 0.0 110.364 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1035 ' ' ARG . . . . . 0.513 ' HA ' HD11 ' A' ' 994' ' ' LEU . 44.0 ttm180 -58.96 -50.98 72.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.843 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 18.2 m -60.82 -34.38 74.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.103 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -73.0 -53.89 10.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.177 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.06 82.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.872 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -62.48 -49.82 73.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.916 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1040 ' ' LYS . . . . . 0.463 ' HA ' ' HG2' ' A' 1043 ' ' GLU . 56.9 mtmt -77.31 -26.95 52.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.311 -177.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1041 ' ' ALA . . . . . 0.518 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -68.77 -25.99 64.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.025 0.44 . . . . 0.0 110.974 178.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -79.27 -22.89 44.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.753 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1043 ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' A' 1040 ' ' LYS . 8.9 pt-20 -105.28 19.81 19.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.957 -178.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.834 -0.603 . . . . 0.0 110.716 179.175 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.866 -0.494 . . . . 0.0 111.866 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 7.4 tt -126.04 105.31 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.845 0.355 . . . . 0.0 111.501 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 28.4 t70 59.62 103.3 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.57 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.758 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 910' ' ' PRO . . . . . 0.431 ' HB3' ' NH2' ' A' ' 916' ' ' ARG . 12.9 Cg_exo -70.09 88.77 0.57 Allowed 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.692 2.261 . . . . 0.0 111.469 174.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 911' ' ' PHE . . . . . 0.703 ' HD2' HG22 ' A' ' 912' ' ' THR . 46.2 t80 -94.3 -59.93 1.84 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.266 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 912' ' ' THR . . . . . 0.703 HG22 ' HD2' ' A' ' 911' ' ' PHE . 1.6 t -150.03 170.0 19.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.808 0.337 . . . . 0.0 110.199 176.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.612 HD13 ' HA ' ' A' 1041 ' ' ALA . 84.0 mt -62.58 -44.22 96.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.356 -174.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 914' ' ' VAL . . . . . 0.418 HG11 ' HG2' ' A' ' 983' ' ' GLN . 27.8 m -74.44 -27.23 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.941 0.401 . . . . 0.0 111.142 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -66.63 -39.17 88.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.084 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 916' ' ' ARG . . . . . 0.431 ' NH2' ' HB3' ' A' ' 910' ' ' PRO . 77.2 mtt85 -56.74 -46.17 81.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.735 173.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 917' ' ' LEU . . . . . 0.523 ' HB3' HD22 ' A' ' 986' ' ' LEU . 86.1 mt -61.11 -50.11 74.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.299 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -48.48 -52.4 22.55 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.174 0.512 . . . . 0.0 111.7 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -77.26 -39.35 48.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.584 -173.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -68.4 -40.26 81.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.583 0.23 . . . . 0.0 111.256 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.56 -40.2 88.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.489 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -65.93 -40.57 91.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.615 0.245 . . . . 0.0 111.431 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -76.78 -33.18 58.05 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.591 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.61 82.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 110.189 175.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.53 -41.84 86.41 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.448 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 926' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 930' ' ' GLN . . . -64.8 -56.0 16.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.188 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 72.2 m -58.5 -36.98 74.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.508 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 928' ' ' ALA . . . . . 0.548 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.86 -47.36 85.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 110.294 176.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 27.1 m -62.69 -35.85 81.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.406 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 930' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 926' ' ' ALA . 54.7 mt-30 -63.87 -43.8 95.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 176.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 5.0 m -65.88 -41.53 91.46 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.255 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.485 HG23 ' SG ' ' A' ' 956' ' ' CYS . 62.6 mt -59.24 -41.79 85.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.142 176.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -68.99 -5.42 21.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.83 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -107.96 -39.71 5.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.165 0.507 . . . . 0.0 109.807 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -60.28 -54.17 48.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.02 -177.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 936' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 11.7 pt20 -92.72 12.07 24.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.959 0.409 . . . . 0.0 111.137 -176.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -107.13 -27.19 10.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.967 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 938' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' A' 1016 ' ' SER . . . -112.39 18.17 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.558 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -78.02 100.58 6.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.411 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 91.0 p 66.2 -33.49 0.19 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.376 1.47 . . . . 0.0 112.85 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -134.42 149.96 72.54 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.13 26.98 0.41 Allowed 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.936 2.424 . . . . 0.0 113.358 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -137.28 -82.57 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -163.26 121.56 1.99 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.189 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 70.5 m -155.6 94.97 1.63 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.301 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -95.5 8.31 43.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.486 -176.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . -59.07 -74.21 0.38 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.762 175.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -82.38 56.77 5.89 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.615 2.21 . . . . 0.0 111.104 173.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 949' ' ' GLN . . . . . 0.469 ' HB2' ' HB ' ' A' ' 953' ' ' VAL . 29.8 pt20 -67.21 123.77 87.25 Favored Pre-proline 0 C--O 1.233 0.229 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.225 -176.046 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 950' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 949' ' ' GLN . 80.8 Cg_endo -93.78 -160.88 0.08 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.178 2.585 . . . . 0.0 111.623 178.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.6 ' O ' ' HB1' ' A' 1003 ' ' ALA . 4.4 mm? -75.14 68.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.251 0.548 . . . . 0.0 109.977 176.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 952' ' ' LEU . . . . . 0.482 HD21 ' HA ' ' A' 1004 ' ' ALA . 18.5 mt -152.6 -63.07 0.16 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.232 175.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 953' ' ' VAL . . . . . 0.474 HG12 ' NZ ' ' A' ' 957' ' ' LYS . 47.7 t -63.06 -34.56 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.638 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -64.73 -59.28 4.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.826 178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 955' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 959' ' ' VAL . 13.9 m -63.74 -28.32 69.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.794 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 956' ' ' CYS . . . . . 0.485 ' SG ' HG23 ' A' ' 932' ' ' ILE . 10.6 t -54.51 -44.51 72.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 175.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 961' ' ' GLU . 63.5 mttp -59.4 -47.41 85.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.85 99.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.976 0.417 . . . . 0.0 110.94 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 963' ' ' ILE . 91.9 t -68.14 -47.44 78.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.283 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -64.48 -21.63 66.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 53.2 mm-40 -86.86 -15.76 38.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.925 0.393 . . . . 0.0 110.909 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 962' ' ' GLN . . . . . 0.63 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 85.1 mm-40 -94.84 -23.34 17.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.665 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.5 ' N ' ' HD2' ' A' ' 964' ' ' PRO . 78.1 mt -55.58 -52.38 72.42 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.405 179.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 13.2 Cg_endo -56.86 -30.66 86.28 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.234 1.956 . . . . 0.0 112.492 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.22 -39.72 86.3 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.647 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 970' ' ' VAL . 97.1 mt -57.96 -57.58 12.19 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.163 0.506 . . . . 0.0 109.879 175.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.0 -37.6 78.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.167 -176.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.06 -43.79 98.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -61.61 -44.85 97.41 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.906 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 966' ' ' LEU . 24.5 t -56.93 -49.06 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 120.967 0.413 . . . . 0.0 110.249 177.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -60.13 -41.93 93.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.851 178.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.38 -43.72 98.36 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.351 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 23.0 t -72.73 -17.03 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 0.0 111.188 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -90.33 -37.67 13.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.69 0.281 . . . . 0.0 110.809 176.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -70.53 -36.88 73.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.176 0.512 . . . . 0.0 110.22 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -123.89 87.93 52.64 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.783 175.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.99 -25.03 66.76 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.846 2.364 . . . . 0.0 112.341 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -127.89 80.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.335 0.588 . . . . 0.0 109.447 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 39.2 t -152.29 119.45 3.15 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.997 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.54 -28.94 83.8 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.623 2.215 . . . . 0.0 111.535 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 27.9 m -64.51 -47.58 78.36 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.09 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.5 91.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.349 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 983' ' ' GLN . . . . . 0.434 ' O ' HG13 ' A' ' 987' ' ' ILE . 54.2 mt-30 -57.62 -61.94 2.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.032 177.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.64 -33.0 72.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.473 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -61.02 -49.14 78.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 110.622 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 986' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 917' ' ' LEU . 1.1 tt -66.0 -45.17 82.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.802 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 987' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 983' ' ' GLN . 87.5 mt -58.07 -51.18 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.944 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.49 93.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.026 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.91 92.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.998 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.684 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.1 m -60.44 -48.29 82.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.38 178.014 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 991' ' ' GLN . . . . . 0.687 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.2 mt-30 -66.04 -37.09 84.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 20.6 t -66.14 -27.72 68.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.464 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.548 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 83.4 t80 -83.29 -31.22 27.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.638 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 991' ' ' GLN . 94.4 mt -55.25 -44.9 75.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.6 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.843 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 7.2 tp60 -60.19 -62.43 5.94 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.827 -176.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.843 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 23.2 Cg_exo -65.04 -40.99 18.22 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.003 1.802 . . . . 0.0 112.135 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.44 -46.64 93.97 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.068 -179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.91 -35.73 90.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.446 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -69.8 -33.29 72.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.637 0.256 . . . . 0.0 110.792 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 9.8 tmm? -77.32 -25.48 51.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 997' ' ' GLY . 88.1 t -59.23 -45.46 92.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 172.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -70.02 -42.77 72.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.482 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1003 ' ' ALA . . . . . 0.6 ' HB1' ' O ' ' A' ' 951' ' ' LEU . . . -58.62 -40.84 84.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.219 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.482 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -65.56 -46.38 79.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.071 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1005 ' ' LYS . . . . . 0.512 ' HE2' HG12 ' A' 1001 ' ' VAL . 67.3 mttm -56.9 -44.78 82.71 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.96 0.409 . . . . 0.0 111.373 -179.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -69.63 -20.97 63.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.752 -176.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1007 ' ' SER . . . . . 0.421 ' O ' HG13 ' A' 1011 ' ' ILE . 19.4 m -92.02 -16.04 27.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.453 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' 1004 ' ' ALA . 97.0 t -55.74 -53.17 65.73 Favored Pre-proline 0 CA--C 1.541 0.615 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1009 ' ' PRO . . . . . 0.441 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 61.2 Cg_endo -73.59 -14.03 24.77 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.948 1.765 . . . . 0.0 113.564 -177.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 20.3 p -90.39 -21.11 22.12 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.26 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.43 HD12 HD12 ' A' 1020 ' ' LEU . 79.8 mt -82.28 127.36 39.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -79.34 -28.04 42.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.37 107.43 3.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.146 176.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.88 -45.75 93.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.458 -174.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.85 82.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.768 0.318 . . . . 0.0 110.968 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1016 ' ' SER . . . . . 0.469 ' HB3' ' HB2' ' A' ' 938' ' ' ALA . 29.2 m -72.79 -39.36 66.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.75 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -63.09 -48.23 79.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.051 0.453 . . . . 0.0 110.589 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 26.5 mmt -62.18 -37.82 86.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.378 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.62 -41.61 97.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.62 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' 1020 ' ' LEU . 10.5 mt -59.68 -54.28 48.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.401 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 22.1 t -62.22 -39.66 93.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.754 0.312 . . . . 0.0 110.545 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1022 ' ' GLN . . . . . 0.431 ' OE1' ' HE3' ' A' 1025 ' ' LYS . 7.7 tp60 -57.85 -48.67 79.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.604 178.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 62.4 m -72.87 -45.12 60.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.162 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.52 -43.04 93.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.972 -177.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1025 ' ' LYS . . . . . 0.431 ' HE3' ' OE1' ' A' 1022 ' ' GLN . 18.8 pttp -67.09 -35.09 79.04 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.538 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.36 -40.75 70.44 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.354 -0.385 . . . . 0.0 109.989 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1027 ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' 1031 ' ' LEU . 48.5 tp -59.64 -38.06 80.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.868 176.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.25 -47.75 89.29 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.566 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 4.3 m -71.26 -34.69 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.995 0.426 . . . . 0.0 110.472 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -59.66 -47.98 83.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.165 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1031 ' ' LEU . . . . . 0.485 HD22 HD23 ' A' ' 994' ' ' LEU . 96.7 mt -65.7 -34.57 78.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.717 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.83 -56.9 15.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.209 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.59 -29.86 59.42 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.37 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.66 -46.97 87.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.917 0.389 . . . . 0.0 109.994 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -61.88 -43.76 98.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.194 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1036 ' ' THR . . . . . 0.558 HG22 ' HE2' ' A' 1040 ' ' LYS . 27.6 m -63.78 -43.64 95.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.82 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -63.5 -48.37 77.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.051 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1038 ' ' ALA . . . . . 0.428 ' HA ' HD21 ' A' ' 917' ' ' LEU . . . -63.19 -33.38 75.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.737 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1039 ' ' GLN . . . . . 0.642 ' O ' ' HG2' ' A' 1043 ' ' GLU . 6.6 tp60 -67.97 -41.32 82.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.476 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1040 ' ' LYS . . . . . 0.558 ' HE2' HG22 ' A' 1036 ' ' THR . 68.0 mttm -65.89 -47.05 76.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.947 0.403 . . . . 0.0 110.858 178.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1041 ' ' ALA . . . . . 0.612 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -68.13 -21.29 64.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.703 -176.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -80.53 -32.61 36.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.02 -176.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1043 ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' 1039 ' ' GLN . 10.9 mm-40 -91.31 -10.18 42.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.374 -174.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.963 -178.714 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.727 -0.549 . . . . 0.0 111.727 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 908' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 908' ' ' ILE . 9.9 tp -98.55 23.78 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 122.473 1.13 . . . . 0.0 109.915 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 909' ' ' ASP . . . . . 0.418 ' HA ' ' HD2' ' A' ' 910' ' ' PRO . 8.3 p-10 -87.05 123.02 70.86 Favored Pre-proline 0 C--N 1.314 -0.944 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.726 177.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 910' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 909' ' ' ASP . 9.7 Cg_endo -52.04 102.8 0.07 OUTLIER 'Trans proline' 0 CA--C 1.518 -0.322 0 C-N-CA 124.419 3.413 . . . . 0.0 113.68 -174.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 911' ' ' PHE . . . . . 0.512 ' HB2' ' HG3' ' A' ' 915' ' ' GLN . 10.9 m-85 -55.68 -61.12 2.57 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 167.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 912' ' ' THR . . . . . 0.612 ' OG1' ' HG2' ' A' ' 915' ' ' GLN . 45.6 p -121.77 179.13 4.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.57 -1.195 . . . . 0.0 108.248 169.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 5.1 mp -87.35 -22.83 24.84 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.164 177.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 914' ' ' VAL . . . . . 0.563 HG11 ' HG2' ' A' ' 983' ' ' GLN . 27.1 m -77.4 -21.06 14.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.979 177.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 915' ' ' GLN . . . . . 0.612 ' HG2' ' OG1' ' A' ' 912' ' ' THR . 80.4 mm-40 -57.59 -37.4 73.14 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.362 0.601 . . . . 0.0 109.85 171.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -68.56 -43.19 77.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.773 175.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 917' ' ' LEU . . . . . 0.533 HD12 HG12 ' A' ' 914' ' ' VAL . 87.1 mt -60.02 -42.13 93.7 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.324 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 94.4 mt-10 -54.49 -45.6 73.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.057 0.456 . . . . 0.0 110.93 178.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -69.47 -50.53 44.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -62.86 -40.19 96.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.6 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.36 87.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.514 0.197 . . . . 0.0 111.409 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -66.53 -40.27 89.05 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.971 -0.291 . . . . 0.0 111.163 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -75.43 -30.18 59.95 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.462 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.31 -47.07 68.56 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 175.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -59.14 -41.01 87.27 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.392 176.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.34 -56.38 16.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.946 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 46.6 m -59.13 -37.86 78.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.9 -178.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 928' ' ' ALA . . . . . 0.539 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -60.25 -51.19 70.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.46 176.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 27.1 m -58.1 -43.79 87.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.628 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 930' ' ' GLN . . . . . 0.461 ' HA ' ' OE1' ' A' ' 930' ' ' GLN . 12.4 mm-40 -64.03 -41.28 97.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.928 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 31.3 m -67.25 -37.15 83.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.775 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.503 ' O ' ' HG3' ' A' ' 936' ' ' GLN . 71.9 mt -61.43 -50.5 80.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.796 0.331 . . . . 0.0 110.27 176.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.73 87.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.878 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -67.66 -41.91 83.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.721 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.715 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -61.16 -43.62 98.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.132 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 936' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 92.3 mt-30 -61.08 -41.17 96.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.048 0.451 . . . . 0.0 110.35 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -70.15 -42.17 72.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.171 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -79.19 -16.29 56.79 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.973 -175.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -58.72 -61.44 2.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.684 -0.235 . . . . 0.0 110.377 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 17.6 m 70.34 -62.48 0.43 Allowed 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.931 0.77 . . . . 0.0 112.018 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -147.87 155.48 44.33 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.412 -176.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 942' ' ' PRO . . . . . 0.626 ' HA ' ' HG3' ' A' ' 950' ' ' PRO . 50.3 Cg_exo -54.89 115.29 2.32 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.771 2.314 . . . . 0.0 111.221 173.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -85.57 86.67 7.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -170.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . 61.27 81.62 0.19 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.536 168.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 5.7 t 56.91 36.96 28.47 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.831 170.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -102.41 12.96 35.78 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.095 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 90.71 -172.83 37.75 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.556 -177.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.59 -2.54 12.76 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.683 2.255 . . . . 0.0 111.628 176.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 949' ' ' GLN . . . . . 0.417 ' HG3' ' HB ' ' A' ' 953' ' ' VAL . 9.3 tt0 -135.28 105.96 10.21 Favored Pre-proline 0 C--N 1.314 -0.937 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.745 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 950' ' ' PRO . . . . . 0.626 ' HG3' ' HA ' ' A' ' 942' ' ' PRO . 51.1 Cg_exo -54.75 -77.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.014 2.476 . . . . 0.0 113.747 -172.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.527 ' HA ' ' OE1' ' A' ' 954' ' ' GLN . 0.2 OUTLIER -161.77 -50.23 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.402 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 952' ' ' LEU . . . . . 0.715 ' HB3' ' HB1' ' A' ' 935' ' ' ALA . 89.2 mt -48.07 -55.4 10.28 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.486 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 953' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 39.5 t -55.89 -38.9 54.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.773 -175.09 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 954' ' ' GLN . . . . . 0.527 ' OE1' ' HA ' ' A' ' 951' ' ' LEU . 46.7 mt-30 -55.68 -49.93 71.63 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.314 0.578 . . . . 0.0 110.382 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 955' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 959' ' ' VAL . 16.7 m -67.9 -41.58 82.47 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.741 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 70.8 m -58.38 -36.47 73.57 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.562 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 9.0 mtpm? -65.76 -39.43 91.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.773 0.32 . . . . 0.0 110.905 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -72.48 -42.73 64.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.19 0.519 . . . . 0.0 110.625 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 963' ' ' ILE . 86.4 t -59.21 -42.17 86.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.597 177.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.9 -22.28 64.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.9 -178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -75.87 -29.57 58.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 110.797 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 962' ' ' GLN . . . . . 0.441 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 85.1 mm-40 -98.7 -18.74 17.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -174.039 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 959' ' ' VAL . 73.6 mt -55.45 -55.04 44.39 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.8 Cg_endo -60.51 -29.84 89.47 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.882 1.721 . . . . 0.0 112.073 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.85 -37.8 79.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 970' ' ' VAL . 85.4 mt -59.65 -57.77 11.47 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.138 0.494 . . . . 0.0 109.868 174.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 967' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 33.4 t -63.13 -35.58 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.969 -176.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.36 -42.8 96.51 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -63.19 -42.32 99.42 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.759 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 966' ' ' LEU . 16.6 t -60.66 -44.08 96.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 120.981 0.42 . . . . 0.0 109.945 177.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 971' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 971' ' ' ARG . 42.6 mtm-85 -71.13 -8.48 53.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.999 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -89.44 -47.91 3.9 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 27.9 t -63.95 -37.58 87.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 110.371 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -87.8 10.15 19.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.068 0.461 . . . . 0.0 111.226 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -111.58 -44.03 3.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 172.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -132.53 85.42 48.1 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.998 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -70.08 -18.31 35.57 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.164 2.576 . . . . 0.0 112.876 -176.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -90.34 -19.14 24.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.986 0.422 . . . . 0.0 110.504 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 34.0 t -72.07 123.78 89.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.55 -19.07 37.58 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.635 2.224 . . . . 0.0 111.417 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 33.4 t -65.38 -33.59 76.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.828 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -67.23 -32.4 73.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.596 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 983' ' ' GLN . . . . . 0.563 ' HG2' HG11 ' A' ' 914' ' ' VAL . 79.9 mt-30 -60.97 -63.66 1.22 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.598 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 984' ' ' LEU . . . . . 0.402 ' HA ' HD13 ' A' ' 984' ' ' LEU . 3.9 mm? -61.44 -29.35 69.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -177.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.67 76.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.777 0.322 . . . . 0.0 110.192 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 16.5 mt -68.86 -50.05 53.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.102 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 987' ' ' ILE . . . . . 0.485 HG21 ' HG2' ' A' 1042 ' ' GLN . 81.2 mt -54.72 -53.02 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.606 -176.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.58 89.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.233 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.52 94.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.736 0.303 . . . . 0.0 110.497 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.701 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 41.5 m -64.2 -49.4 72.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.546 178.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 991' ' ' GLN . . . . . 0.62 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.4 mt-30 -60.26 -43.76 95.88 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.195 0.521 . . . . 0.0 110.828 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 17.6 t -73.01 -10.97 60.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.872 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.539 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 85.8 t80 -94.36 -31.24 14.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.913 0.387 . . . . 0.0 110.181 176.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 990' ' ' SER . 78.7 mt -56.76 -43.31 80.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.442 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.518 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 29.4 tt0 -63.05 -62.43 5.65 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.78 -177.279 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.518 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 35.5 Cg_endo -65.39 -33.98 45.47 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.751 1.634 . . . . 0.0 112.148 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.52 -47.27 90.6 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.718 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.7 -31.97 79.9 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.166 -0.54 . . . . 0.0 111.958 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.22 -33.0 74.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.635 0.255 . . . . 0.0 110.887 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 47.0 ttp -78.71 -33.25 46.94 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.09 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 997' ' ' GLY . 58.0 t -62.76 -46.74 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 174.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.85 -48.18 81.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.429 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.69 83.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.04 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' 1008 ' ' VAL . . . -62.96 -52.25 63.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.756 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.72 -27.52 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.41 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -85.96 -19.87 29.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.537 -178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1007 ' ' SER . . . . . 0.645 ' O ' HG13 ' A' 1011 ' ' ILE . 50.4 m -86.94 -25.76 24.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.661 0.267 . . . . 0.0 110.533 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.675 HG13 ' HB1' ' A' 1017 ' ' ALA . 85.0 t -52.45 -51.81 69.3 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1009 ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' 1008 ' ' VAL . 41.7 Cg_endo -67.01 -22.24 48.29 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 121.963 1.775 . . . . 0.0 112.722 -175.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 74.9 p -95.17 3.0 55.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.25 0.548 . . . . 0.0 110.683 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.645 HG13 ' O ' ' A' 1007 ' ' SER . 77.0 mt -93.93 121.28 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 170.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -95.82 7.45 46.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.216 0.532 . . . . 0.0 110.706 -175.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1013 ' ' ASP . . . . . 0.485 ' H ' HG22 ' A' 1011 ' ' ILE . 24.0 t70 -105.45 117.98 35.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.349 170.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' 1018 ' ' MET . 6.2 tp-100 -57.85 -46.63 84.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.752 -174.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -63.67 -44.48 93.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.86 -175.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 19.6 m -65.17 -39.54 93.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.863 0.363 . . . . 0.0 110.766 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.675 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -65.85 -40.44 91.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.251 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1018 ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' 1014 ' ' GLN . 83.1 mtp -67.66 -28.88 68.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -64.68 -42.97 94.98 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 935' ' ' ALA . 13.8 mt -64.02 -47.29 80.84 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 176.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 34.6 t -57.22 -43.47 82.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.764 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -51.34 69.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 56.1 m -67.66 -46.22 73.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.281 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.08 96.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.092 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 20.7 pttp -65.62 -35.29 80.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.867 0.365 . . . . 0.0 110.607 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -76.01 -41.38 51.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.524 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1027 ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' 1031 ' ' LEU . 65.1 tp -60.71 -45.07 95.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.231 175.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.54 -41.82 97.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.376 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 8.8 m -72.23 -36.5 69.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.996 0.427 . . . . 0.0 110.321 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -58.76 -44.07 90.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.928 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1031 ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' 1027 ' ' LEU . 99.1 mt -65.61 -37.95 88.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.578 176.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -55.66 -56.2 23.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.636 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.98 -31.05 64.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.13 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 65.7 tp -63.93 -49.54 72.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.983 0.42 . . . . 0.0 110.306 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -56.19 -48.42 76.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.107 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 19.1 m -63.04 -42.88 99.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.29 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -69.13 -41.28 77.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.058 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.73 95.94 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.795 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1039 ' ' GLN . . . . . 0.517 ' O ' ' HG2' ' A' 1043 ' ' GLU . 50.1 tt0 -59.89 -46.34 89.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.53 177.166 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -64.25 -41.85 96.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.744 -177.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -68.14 -28.5 67.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.217 0.532 . . . . 0.0 110.53 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1042 ' ' GLN . . . . . 0.485 ' HG2' HG21 ' A' ' 987' ' ' ILE . 0.0 OUTLIER -69.48 -35.12 75.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.257 179.743 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1043 ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' 1039 ' ' GLN . 8.9 pt-20 -98.03 12.62 33.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.399 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.857 -179.655 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.865 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 31.8 pt -103.9 -178.75 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.574 0.226 . . . . 0.0 111.036 -176.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 909' ' ' ASP . . . . . 0.471 ' HA ' ' HD3' ' A' ' 910' ' ' PRO . 1.5 m-20 -56.27 130.98 75.46 Favored Pre-proline 0 N--CA 1.465 0.275 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.975 176.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 910' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 909' ' ' ASP . 6.4 Cg_exo -73.58 95.31 0.87 Allowed 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 123.07 2.513 . . . . 0.0 111.575 176.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 911' ' ' PHE . . . . . 0.568 ' HA ' ' HG3' ' A' ' 915' ' ' GLN . 33.5 p90 -106.83 147.86 29.22 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.902 174.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 912' ' ' THR . . . . . 0.409 ' H ' ' HB2' ' A' ' 915' ' ' GLN . 14.1 t 178.66 -167.43 0.07 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.702 -175.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' 1040 ' ' LYS . 95.8 mt -58.13 -46.17 86.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.567 -175.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 914' ' ' VAL . . . . . 0.652 HG11 ' HG3' ' A' ' 983' ' ' GLN . 15.9 m -69.77 -26.63 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.837 0.351 . . . . 0.0 110.996 -176.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 915' ' ' GLN . . . . . 0.568 ' HG3' ' HA ' ' A' ' 911' ' ' PHE . 86.6 mm-40 -72.57 -36.4 68.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.092 178.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -69.66 -34.96 74.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.565 174.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.6 -44.03 97.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.264 176.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -54.9 -52.69 62.09 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.042 0.448 . . . . 0.0 110.721 174.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -60.01 -32.88 71.29 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.806 -177.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -75.87 -43.27 46.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.748 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.73 99.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.919 0.39 . . . . 0.0 111.183 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.98 -45.8 90.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.046 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -73.65 -31.04 63.29 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.483 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.69 -46.65 78.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 176.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.53 88.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.451 176.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 926' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 930' ' ' GLN . . . -62.93 -52.8 61.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.465 178.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 34.7 m -64.34 -32.74 74.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.061 -177.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 928' ' ' ALA . . . . . 0.61 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -64.86 -41.12 95.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.251 175.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 32.6 m -59.94 -42.87 94.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.248 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 930' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 926' ' ' ALA . 79.6 mt-30 -58.97 -45.8 89.66 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.328 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 19.9 m -68.86 -39.49 79.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.288 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 928' ' ' ALA . 63.6 mt -64.47 -43.7 96.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 177.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.79 -35.7 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.117 0.484 . . . . 0.0 110.569 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -73.65 -43.36 59.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.588 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -58.74 -45.79 88.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.313 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -63.61 -27.61 69.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.237 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -91.4 -45.11 8.75 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.617 -174.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 938' ' ' ALA . . . . . 0.48 ' HB2' ' HB3' ' A' 1016 ' ' SER . . . -79.66 -42.33 25.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.551 -176.132 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -101.42 89.44 3.75 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.17 0.51 . . . . 0.0 110.987 -177.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 20.0 m -95.12 -40.38 9.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.23 175.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -158.74 134.96 6.31 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.61 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.38 8.05 2.73 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.647 2.232 . . . . 0.0 112.953 -177.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? 61.6 29.58 18.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.512 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -116.12 110.65 19.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.081 -176.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 38.0 m -81.48 -32.56 32.41 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.87 176.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -96.22 108.32 20.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.035 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 77.26 76.34 0.87 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.076 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.57 99.34 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.942 2.428 . . . . 0.0 112.169 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -127.09 102.12 24.77 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.892 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 950' ' ' PRO . . . . . 0.766 ' HB2' ' HB ' ' A' ' 953' ' ' VAL . 7.7 Cg_exo -74.01 -19.25 20.64 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.935 2.423 . . . . 0.0 113.309 -177.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 951' ' ' LEU . 4.3 mm? 61.88 -81.82 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.008 0.523 . . . . 0.0 111.97 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 952' ' ' LEU . . . . . 0.472 HD21 ' CA ' ' A' 1004 ' ' ALA . 25.7 mt -56.02 -43.77 78.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.358 -178.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 953' ' ' VAL . . . . . 0.766 ' HB ' ' HB2' ' A' ' 950' ' ' PRO . 90.4 t -63.46 -29.04 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.829 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -72.02 -51.63 20.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.465 0.65 . . . . 0.0 109.87 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 955' ' ' SER . . . . . 0.435 ' O ' HG23 ' A' ' 959' ' ' VAL . 15.1 m -62.2 -44.01 97.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.613 -177.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 956' ' ' CYS . . . . . 0.695 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 20.8 p -63.39 -26.34 68.7 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -176.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 953' ' ' VAL . 39.2 mmtm -63.46 -49.49 73.44 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.797 0.332 . . . . 0.0 110.409 175.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.94 75.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.919 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 963' ' ' ILE . 87.1 t -62.95 -40.11 87.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 178.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -64.73 -14.18 57.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.623 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 36.1 mt-10 -88.99 -34.04 16.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.1 0.476 . . . . 0.0 110.198 176.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 962' ' ' GLN . . . . . 0.424 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 86.8 mm-40 -85.65 -27.09 25.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.129 -174.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.71 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 80.6 mt -55.53 -53.98 56.34 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 177.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.71 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 31.7 Cg_exo -59.94 -31.22 93.35 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.966 1.777 . . . . 0.0 112.167 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 73.8 mt -68.57 -41.78 79.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.737 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 970' ' ' VAL . 46.1 mt -54.62 -59.95 4.01 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.075 0.464 . . . . 0.0 110.248 173.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 49.6 t -62.01 -32.55 54.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.271 -176.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -61.59 -43.79 98.21 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 174.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.82 -43.15 92.3 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.922 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 966' ' ' LEU . 39.4 t -57.71 -51.13 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 CA-C-O 120.973 0.416 . . . . 0.0 110.164 178.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -66.02 -26.41 67.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.67 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.92 -41.96 99.77 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.527 174.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 28.7 t -71.97 -21.97 61.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.347 0.594 . . . . 0.0 109.888 176.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 974' ' ' GLN . 16.2 mm-40 -86.15 -2.39 58.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.648 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -116.0 -39.76 3.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.634 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 976' ' ' GLN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 979' ' ' SER . 45.1 mt-30 -136.44 68.4 60.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.426 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.54 -33.06 57.92 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.545 2.164 . . . . 0.0 113.053 -174.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -83.68 -17.8 40.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.89 0.376 . . . . 0.0 110.633 -177.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.432 ' HA ' ' HD2' ' A' ' 980' ' ' PRO . 21.1 m -82.13 124.89 78.28 Favored Pre-proline 0 N--CA 1.443 -0.791 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.797 -177.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 979' ' ' SER . 17.8 Cg_endo -58.51 -20.15 47.98 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.983 2.455 . . . . 0.0 112.327 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 2.1 m -57.9 -43.84 86.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.684 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.96 97.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.589 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 983' ' ' GLN . . . . . 0.652 ' HG3' HG11 ' A' ' 914' ' ' VAL . 2.0 mp0 -61.55 -51.31 69.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.666 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.17 -40.28 81.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.054 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.18 -50.32 70.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.766 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 8.6 mt -58.51 -53.05 62.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.502 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 987' ' ' ILE . . . . . 0.611 HD13 ' HA ' ' A' 1042 ' ' GLN . 75.0 mt -56.79 -47.06 83.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.927 -177.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -63.99 -51.58 63.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.129 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.23 93.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.374 -177.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.591 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 41.3 m -61.48 -49.39 76.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.213 -179.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 991' ' ' GLN . . . . . 0.767 ' HA ' HD12 ' A' ' 994' ' ' LEU . 77.1 mt-30 -67.52 -35.38 79.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.04 0.447 . . . . 0.0 110.685 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 32.5 t -66.25 -36.26 82.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.463 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.61 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 91.7 t80 -71.33 -32.71 68.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.0 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 991' ' ' GLN . 74.7 mt -58.41 -32.75 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.208 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.709 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 61.7 tt0 -60.19 -63.4 4.31 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.917 -176.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 72.1 Cg_endo -78.21 -28.3 4.84 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.484 1.456 . . . . 0.0 112.207 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.46 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.93 -49.88 68.54 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.159 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -63.44 -34.11 89.06 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.165 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 999' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 67.0 mttm -72.17 -31.81 66.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.443 0.163 . . . . 0.0 110.721 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 52.8 ttp -71.71 -33.92 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 997' ' ' GLY . 60.9 t -62.75 -45.32 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 173.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -60.89 -49.05 79.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.768 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -61.18 -42.25 98.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.801 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.16 -53.74 54.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.775 179.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.46 -36.54 78.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -74.56 -28.63 61.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.552 -177.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1007 ' ' SER . . . . . 0.486 ' O ' HG13 ' A' 1011 ' ' ILE . 56.7 p -81.62 -22.01 37.92 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.153 -0.219 . . . . 0.0 111.529 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.731 HG13 ' HB1' ' A' 1017 ' ' ALA . 75.9 t -50.44 -56.6 17.35 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1009 ' ' PRO . . . . . 0.519 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 73.2 Cg_endo -75.83 -4.86 15.75 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.03 1.82 . . . . 0.0 113.541 -177.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 26.6 p -101.41 -14.41 17.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.885 0.374 . . . . 0.0 111.355 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' 1007 ' ' SER . 66.9 mt -85.15 131.22 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.035 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -70.85 -32.65 69.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.905 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 21.3 t70 -79.12 107.55 11.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.481 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -65.47 -35.68 81.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.455 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.51 83.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.952 0.406 . . . . 0.0 110.756 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1016 ' ' SER . . . . . 0.48 ' HB3' ' HB2' ' A' ' 938' ' ' ALA . 20.3 m -65.4 -35.62 81.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.783 178.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.731 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -62.78 -45.58 92.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.483 177.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 26.4 mmt -66.14 -37.7 86.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.639 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -60.1 -43.61 95.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.314 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.83 -44.01 94.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.033 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 29.6 t -59.59 -28.22 66.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.782 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -78.95 -53.11 7.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 60.2 m -62.27 -47.32 84.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.441 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1024 ' ' ALA . . . . . 0.405 ' HB1' HG13 ' A' 1001 ' ' VAL . . . -64.7 -27.23 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.201 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -70.83 -43.98 67.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.955 0.407 . . . . 0.0 109.953 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -64.72 -52.39 57.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.137 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1027 ' ' LEU . . . . . 0.451 ' O ' ' HG ' ' A' 1031 ' ' LEU . 58.9 tp -60.49 -46.48 89.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.132 -178.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.27 -44.37 96.55 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.822 -178.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.0 m -75.08 -32.68 61.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.85 0.357 . . . . 0.0 110.557 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.96 96.39 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1031 ' ' LEU . . . . . 0.555 HD22 HD23 ' A' ' 994' ' ' LEU . 95.9 mt -64.74 -32.84 74.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.808 176.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.34 -54.02 51.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.086 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.39 -28.0 46.89 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.871 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 65.4 tp -61.11 -50.16 74.38 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 120.891 0.376 . . . . 0.0 110.155 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -59.38 -41.18 88.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.526 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 24.4 m -68.56 -45.59 71.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -69.1 -37.25 78.31 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.099 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1038 ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' 1042 ' ' GLN . . . -64.38 -35.97 82.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 178.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -74.13 -37.47 64.06 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1040 ' ' LYS . . . . . 0.477 ' HB3' HD22 ' A' ' 913' ' ' LEU . 46.9 mttm -56.19 -57.74 10.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.858 175.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -65.1 -21.33 66.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.272 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1042 ' ' GLN . . . . . 0.611 ' HA ' HD13 ' A' ' 987' ' ' ILE . 0.7 OUTLIER -75.62 -59.25 2.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.114 -177.118 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -108.95 26.35 10.71 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -172.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1044 ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' 1040 ' ' LYS . . . . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.228 173.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.869 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 67.4 mt -95.35 111.01 25.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.75 0.309 . . . . 0.0 110.28 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.32 135.8 50.08 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.066 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.83 11.22 2.6 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.667 2.245 . . . . 0.0 112.265 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 911' ' ' PHE . . . . . 0.432 ' HD1' ' HB3' ' A' ' 915' ' ' GLN . 90.6 m-85 -124.8 128.27 48.48 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.255 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 912' ' ' THR . . . . . 0.425 ' N ' ' HB2' ' A' ' 915' ' ' GLN . 38.3 p -78.64 -175.23 4.26 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 172.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.17 -43.18 87.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.616 0.246 . . . . 0.0 111.15 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 914' ' ' VAL . . . . . 0.458 HG12 ' HG2' ' A' ' 983' ' ' GLN . 22.8 m -79.45 -34.42 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.334 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 915' ' ' GLN . . . . . 0.432 ' HB3' ' HD1' ' A' ' 911' ' ' PHE . 79.0 mm-40 -62.61 -43.11 99.64 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.8 0.333 . . . . 0.0 111.054 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -67.09 -34.43 77.63 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.167 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 917' ' ' LEU . . . . . 0.808 ' HB3' HD13 ' A' ' 986' ' ' LEU . 9.6 mt -62.26 -48.75 78.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.804 177.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 69.2 mt-10 -52.1 -46.12 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.26 0.553 . . . . 0.0 111.199 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -79.98 -36.76 35.55 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.429 -174.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 920' ' ' ALA . . . . . 0.444 ' HA ' ' HG2' ' A' ' 923' ' ' GLN . . . -69.36 -37.25 77.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 921' ' ' ALA . . . . . 0.467 ' HB3' HG22 ' A' ' 970' ' ' VAL . . . -66.66 -40.76 88.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.928 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 922' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 7.5 mtmp? -68.61 -37.67 79.97 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.272 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 923' ' ' GLN . . . . . 0.444 ' HG2' ' HA ' ' A' ' 920' ' ' ALA . 10.8 pt20 -72.68 -33.67 66.69 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.05 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -66.0 -48.5 71.0 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.62 -43.36 89.62 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.876 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.05 -52.65 61.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.317 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 927' ' ' SER . . . . . 0.538 ' O ' ' HG2' ' A' ' 930' ' ' GLN . 50.9 m -62.4 -37.83 87.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.935 -178.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 928' ' ' ALA . . . . . 0.481 ' O ' HG13 ' A' ' 932' ' ' ILE . . . -61.41 -44.83 96.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.847 0.356 . . . . 0.0 110.452 177.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 86.1 m -55.8 -48.79 74.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.517 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 930' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 927' ' ' SER . 19.4 pt20 -69.63 -36.89 76.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.655 -176.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 30.4 m -63.54 -40.93 98.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.741 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.56 HG23 ' HB3' ' A' ' 956' ' ' CYS . 67.2 mt -59.08 -45.92 92.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.76 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.99 95.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.965 0.412 . . . . 0.0 110.869 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 934' ' ' ALA . . . . . 0.47 ' HB1' ' HG3' ' A' 1019 ' ' GLN . . . -66.07 -40.39 90.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.221 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.752 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -60.91 -40.65 93.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.363 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 936' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 21.9 mt-30 -64.15 -43.65 94.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.391 . . . . 0.0 110.504 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -64.62 -38.6 91.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.586 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -73.2 -29.43 62.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.258 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -78.57 15.78 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.685 -178.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 44.1 t -65.17 -43.23 92.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.509 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -144.99 94.43 5.35 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.916 0.389 . . . . 0.0 111.109 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -94.78 -176.63 0.44 Allowed 'Trans proline' 0 N--CA 1.45 -1.064 0 C-N-CA 123.577 2.852 . . . . 0.0 111.694 176.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -125.12 20.94 8.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.051 0.453 . . . . 0.0 110.092 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -64.4 139.79 58.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.833 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 27.6 p -124.23 -32.03 3.25 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.04 -176.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -91.58 -8.51 47.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.589 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 947' ' ' GLY . . . . . 0.452 ' HA2' ' HD3' ' A' ' 948' ' ' PRO . . . -131.33 123.02 3.62 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.909 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 948' ' ' PRO . . . . . 0.452 ' HD3' ' HA2' ' A' ' 947' ' ' GLY . 5.9 Cg_exo -77.55 -7.63 16.85 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 123.081 2.521 . . . . 0.0 111.911 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 949' ' ' GLN . . . . . 0.42 ' HA ' ' HD3' ' A' ' 950' ' ' PRO . 26.6 mm-40 -128.06 127.78 23.81 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.196 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 950' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 949' ' ' GLN . 32.0 Cg_exo -59.39 137.46 78.4 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.735 2.29 . . . . 0.0 111.929 178.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.93 -31.01 72.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.564 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 952' ' ' LEU . . . . . 0.752 ' HB3' ' HB1' ' A' ' 935' ' ' ALA . 91.6 mt -52.25 -64.16 0.91 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.47 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 953' ' ' VAL . . . . . 0.52 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 35.2 m -59.82 -33.98 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-O 120.966 0.412 . . . . 0.0 111.731 -176.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -65.47 -46.88 78.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.326 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 955' ' ' SER . . . . . 0.448 ' O ' HG23 ' A' ' 959' ' ' VAL . 31.2 p -65.96 -36.1 82.39 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.758 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 956' ' ' CYS . . . . . 0.56 ' HB3' HG23 ' A' ' 932' ' ' ILE . 72.9 m -59.74 -35.36 74.41 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.76 0.314 . . . . 0.0 111.346 178.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 62.0 mttp -61.55 -46.46 89.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.802 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -69.17 -42.45 75.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.881 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 963' ' ' ILE . 85.8 t -59.37 -43.36 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.53 -24.53 65.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.896 -177.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -76.39 -30.28 57.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.791 0.329 . . . . 0.0 110.966 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 962' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.06 -21.93 18.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.951 -173.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 959' ' ' VAL . 74.4 mt -51.85 -54.23 42.56 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 18.1 Cg_endo -59.43 -24.86 76.49 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.236 1.957 . . . . 0.0 113.025 -178.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 39.4 mt -71.09 -38.12 72.42 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.576 0.227 . . . . 0.0 110.709 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 970' ' ' VAL . 84.4 mt -58.37 -55.88 29.29 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.257 0.551 . . . . 0.0 109.691 175.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 967' ' ' VAL . . . . . 0.422 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 26.8 t -61.68 -35.61 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.867 -176.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -57.35 -49.31 76.55 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 110.147 173.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -61.93 -41.94 99.7 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.022 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 966' ' ' LEU . 42.1 t -54.65 -55.27 16.27 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 120.865 0.364 . . . . 0.0 110.687 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 971' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 971' ' ' ARG . 19.2 mtm180 -61.48 -33.03 73.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.084 -177.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -68.45 -43.57 77.32 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.018 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 973' ' ' SER . . . . . 0.599 ' HA ' ' HB1' ' A' ' 982' ' ' ALA . 36.8 t -66.63 -39.12 88.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.571 0.224 . . . . 0.0 111.019 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 85.1 mt-30 -59.6 -38.7 81.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.943 0.401 . . . . 0.0 110.583 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -76.24 -34.0 59.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.99 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -126.36 95.57 38.26 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.836 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.74 -21.75 69.68 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 C-N-CA 123.293 2.662 . . . . 0.0 113.469 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -149.44 83.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.095 0.474 . . . . 0.0 110.196 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 51.9 m -147.38 137.01 11.96 Favored Pre-proline 0 N--CA 1.444 -0.761 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.901 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.18 -47.39 27.01 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.102 2.535 . . . . 0.0 112.501 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 70.4 m -62.75 -35.1 78.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.715 0.293 . . . . 0.0 111.608 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 982' ' ' ALA . . . . . 0.599 ' HB1' ' HA ' ' A' ' 973' ' ' SER . . . -71.91 -48.81 42.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.119 0.485 . . . . 0.0 110.587 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 983' ' ' GLN . . . . . 0.458 ' HG2' HG12 ' A' ' 914' ' ' VAL . 76.9 mt-30 -66.17 -45.41 80.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.394 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.85 -39.54 89.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.116 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.48 95.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.79 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 986' ' ' LEU . . . . . 0.808 HD13 ' HB3' ' A' ' 917' ' ' LEU . 10.2 mt -72.03 -55.71 6.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.576 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 987' ' ' ILE . . . . . . . . . . . . . 82.6 mt -56.92 -50.74 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.489 -174.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.02 91.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.113 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -66.91 -44.01 81.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.659 -177.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.667 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.7 m -58.21 -50.55 73.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.113 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 991' ' ' GLN . . . . . 0.775 ' HA ' HD12 ' A' ' 994' ' ' LEU . 95.4 mt-30 -66.14 -33.58 76.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.029 0.443 . . . . 0.0 110.821 -178.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 64.9 m -70.79 -26.17 63.2 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.023 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.554 ' HE2' HD21 ' A' 1031 ' ' LEU . 74.4 t80 -82.15 -33.48 29.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.948 0.404 . . . . 0.0 110.38 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 991' ' ' GLN . 79.2 mt -57.9 -40.11 79.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.921 -178.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.558 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 16.6 tp60 -64.49 -58.54 13.3 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.989 -174.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 54.0 Cg_endo -71.82 -31.75 12.46 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 121.836 1.691 . . . . 0.0 112.159 177.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.97 -44.45 97.37 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.817 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.17 -28.72 71.18 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.09 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -66.84 -39.22 87.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.456 0.17 . . . . 0.0 110.728 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 48.7 ttp -73.28 -33.49 65.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.012 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 997' ' ' GLY . 56.4 t -62.59 -48.86 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.981 174.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -64.02 -42.44 97.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.987 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.48 93.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.84 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' 1008 ' ' VAL . . . -60.55 -53.38 58.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.03 -29.69 71.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.968 0.414 . . . . 0.0 111.593 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -81.75 -21.84 37.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.397 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1007 ' ' SER . . . . . 0.41 ' O ' HG13 ' A' 1011 ' ' ILE . 50.6 m -86.56 -23.27 25.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.986 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' 1004 ' ' ALA . 85.8 t -50.81 -57.63 12.87 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1009 ' ' PRO . . . . . 0.504 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 54.8 Cg_endo -69.67 -20.81 34.8 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.95 1.767 . . . . 0.0 113.381 -176.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 29.3 p -84.86 -13.61 50.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.802 0.334 . . . . 0.0 111.749 -176.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' 1007 ' ' SER . 90.7 mt -94.22 126.86 46.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.424 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -68.75 -41.19 79.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.995 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.25 108.66 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 110.41 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.541 ' O ' ' HG3' ' A' 1018 ' ' MET . 45.8 mt-30 -70.08 -26.18 63.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.383 -175.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -62.4 -49.13 76.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.649 0.261 . . . . 0.0 110.64 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 38.2 m -66.13 -35.69 81.16 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.364 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -63.46 -48.08 79.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1018 ' ' MET . . . . . 0.541 ' HG3' ' O ' ' A' 1014 ' ' GLN . 83.9 mtp -63.24 -34.88 78.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.009 0.433 . . . . 0.0 110.298 177.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1019 ' ' GLN . . . . . 0.47 ' HG3' ' HB1' ' A' ' 934' ' ' ALA . 50.7 tp60 -61.7 -46.04 91.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.133 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.735 ' HA ' ' SG ' ' A' 1023 ' ' CYS . 26.2 mt -69.13 -40.86 78.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.246 177.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 32.3 t -56.71 -43.36 80.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1022 ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' 1025 ' ' LYS . 6.4 tp60 -67.89 -54.57 17.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.744 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1023 ' ' CYS . . . . . 0.735 ' SG ' ' HA ' ' A' 1020 ' ' LEU . 24.8 p -63.43 -42.09 98.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.608 0.242 . . . . 0.0 111.427 -174.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.54 86.55 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1025 ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' 1022 ' ' GLN . 14.4 ptmm? -72.57 -29.69 63.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.175 -179.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.17 -52.66 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.984 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 43.3 tp -61.13 -40.54 94.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.666 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.77 -50.55 66.2 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.534 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 6.4 m -69.81 -33.24 72.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.821 0.343 . . . . 0.0 110.762 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -62.03 -49.2 76.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.288 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1031 ' ' LEU . . . . . 0.554 HD21 ' HE2' ' A' ' 993' ' ' PHE . 95.3 mt -64.93 -32.17 73.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.737 178.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.2 -55.73 25.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.536 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -81.68 -20.93 38.52 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.323 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -45.3 68.51 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -64.07 -40.89 97.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.301 176.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1036 ' ' THR . . . . . 0.562 HG22 ' HE2' ' A' 1040 ' ' LYS . 61.8 m -66.0 -35.84 81.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.802 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.83 -53.1 52.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.019 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.12 80.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.171 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -62.97 -52.51 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.693 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1040 ' ' LYS . . . . . 0.562 ' HE2' HG22 ' A' 1036 ' ' THR . 58.1 mtmt -68.7 -20.84 64.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.76 0.314 . . . . 0.0 111.288 -177.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -83.26 -20.76 33.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.88 0.371 . . . . 0.0 110.833 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 22.6 tm0? -102.29 -40.33 6.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.198 -176.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -132.85 69.35 1.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.523 0.678 . . . . 0.0 111.352 -173.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.85 173.55 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 908' ' ' ILE . . . . . 0.509 HD13 ' H ' ' A' ' 908' ' ' ILE . 0.2 OUTLIER -130.58 154.16 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 122.649 -0.324 . . . . 0.0 110.362 178.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -124.04 90.72 50.43 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 121.212 0.53 . . . . 0.0 109.747 176.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -89.89 34.71 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.339 2.692 . . . . 0.0 112.4 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 911' ' ' PHE . . . . . 0.444 ' CD2' HG23 ' A' ' 912' ' ' THR . 44.2 t80 -56.5 -57.52 11.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.906 178.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 912' ' ' THR . . . . . 0.444 HG23 ' CD2' ' A' ' 911' ' ' PHE . 45.0 p -136.0 171.23 14.78 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 174.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.51 HD12 ' HB3' ' A' 1044 ' ' ALA . 85.8 mt -73.64 -39.83 64.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.809 0.338 . . . . 0.0 110.277 176.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 30.9 m -69.72 -25.8 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.591 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -56.22 -43.15 78.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.196 173.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -72.67 -39.88 66.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.79 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 917' ' ' LEU . . . . . 0.478 ' HG ' HD22 ' A' ' 986' ' ' LEU . 62.0 tp -55.51 -46.28 76.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.051 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -53.42 -53.29 53.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.18 0.514 . . . . 0.0 111.141 177.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -69.98 -33.07 71.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.068 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -69.37 -38.8 78.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.703 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -68.57 -38.99 81.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.865 0.364 . . . . 0.0 110.643 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -61.5 -50.72 71.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.941 177.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -66.98 -30.44 70.55 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.723 0.297 . . . . 0.0 110.567 -178.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.0 -49.42 61.68 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.124 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.68 84.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.39 177.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -61.79 -55.36 30.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.269 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 47.3 m -63.93 -35.12 79.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.407 -176.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 928' ' ' ALA . . . . . 0.507 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.83 -44.72 96.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.887 0.375 . . . . 0.0 110.213 176.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 28.4 m -61.15 -40.73 94.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.495 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -62.21 -38.6 89.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.755 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 19.0 m -71.83 -46.02 59.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.683 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.561 HG23 ' HB3' ' A' ' 956' ' ' CYS . 69.1 mt -59.34 -48.15 88.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 120.719 0.295 . . . . 0.0 111.641 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -57.88 -36.08 71.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.429 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -82.52 -44.44 15.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.708 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -62.31 -41.82 98.86 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -174.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -78.05 8.69 4.45 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -137.01 -37.63 0.65 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -100.97 -16.05 17.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -174.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -82.05 68.3 8.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.052 0.453 . . . . 0.0 111.479 -176.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 54.8 m -157.88 142.68 16.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.924 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -85.9 111.64 39.41 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.48 156.38 56.91 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.988 2.459 . . . . 0.0 112.674 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 71.33 -64.69 0.37 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.653 0.781 . . . . 0.0 111.658 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -67.76 -19.73 65.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.424 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 8.9 p -159.43 173.32 16.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.542 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -110.49 -36.28 5.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.204 0.526 . . . . 0.0 110.062 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 167.4 88.72 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.487 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -83.63 1.85 8.67 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.741 2.294 . . . . 0.0 112.678 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 50.89 73.67 0.94 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.964 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -57.64 -49.84 12.25 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.915 2.41 . . . . 0.0 112.476 -175.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 951' ' ' LEU . . . . . 0.845 HD12 ' HB2' ' A' 1003 ' ' ALA . 0.7 OUTLIER -170.19 -42.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.671 -179.502 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 952' ' ' LEU . . . . . 0.708 ' HB3' ' HB1' ' A' ' 935' ' ' ALA . 12.6 mt -47.77 -57.58 5.41 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.672 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 953' ' ' VAL . . . . . 0.46 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 43.8 t -53.88 -37.12 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.578 -176.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -70.98 -42.76 69.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.656 -179.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 955' ' ' SER . . . . . 0.408 ' O ' HG23 ' A' ' 959' ' ' VAL . 22.7 m -64.89 -40.56 95.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.731 177.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 956' ' ' CYS . . . . . 0.561 ' HB3' HG23 ' A' ' 932' ' ' ILE . 73.4 m -56.2 -33.26 65.15 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 178.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 62.7 mttm -62.51 -50.0 73.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.45 178.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.25 80.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 963' ' ' ILE . 91.6 t -64.15 -42.23 94.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.243 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.93 -23.31 65.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.853 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 15.1 mm-40 -83.87 -20.16 33.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.755 0.312 . . . . 0.0 110.798 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 962' ' ' GLN . . . . . 0.411 ' HB3' ' HD1' ' A' ' 993' ' ' PHE . 85.7 mm-40 -95.71 -24.55 16.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.581 -177.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 959' ' ' VAL . 74.0 mt -53.19 -55.76 30.83 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 18.5 Cg_endo -59.5 -33.76 97.12 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.905 1.736 . . . . 0.0 112.007 179.038 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.8 -37.87 89.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.789 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.643 ' O ' HG23 ' A' ' 970' ' ' VAL . 85.7 mt -56.64 -56.85 16.21 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.999 173.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.22 -36.37 75.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.375 -175.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -58.91 -42.94 90.85 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.878 0.371 . . . . 0.0 110.044 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.3 -43.81 92.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.964 176.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 966' ' ' LEU . 39.5 t -56.85 -43.62 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.007 0.432 . . . . 0.0 110.14 177.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -57.03 -41.06 77.91 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.084 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.03 -46.55 93.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.438 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 16.0 t -69.03 -34.89 75.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.754 0.311 . . . . 0.0 110.637 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -63.99 -38.3 90.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.813 0.339 . . . . 0.0 110.469 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -72.17 -55.66 6.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.782 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -136.19 95.21 13.47 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -67.16 -21.87 47.89 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.29 1.993 . . . . 0.0 111.289 175.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.84 -14.36 59.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.739 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.412 ' O ' ' HG2' ' A' ' 983' ' ' GLN . 32.8 t -82.92 115.42 58.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 -175.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.558 ' O ' ' HG ' ' A' ' 984' ' ' LEU . 18.0 Cg_exo -66.03 -34.74 36.86 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.411 2.074 . . . . 0.0 110.927 175.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 15.8 m -63.25 -41.99 99.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.708 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.6 91.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.498 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 983' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 979' ' ' SER . 53.9 mm-40 -66.03 -43.77 86.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.92 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 984' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 980' ' ' PRO . 93.7 mt -55.95 -38.94 71.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.866 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.59 80.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.674 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 986' ' ' LEU . . . . . 0.478 HD22 ' HG ' ' A' ' 917' ' ' LEU . 0.7 OUTLIER -63.84 -52.44 60.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.372 -179.292 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 987' ' ' ILE . . . . . . . . . . . . . 84.7 mt -58.09 -49.59 80.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.263 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -60.44 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.159 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.11 83.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.291 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.524 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 51.9 m -65.89 -45.67 81.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 991' ' ' GLN . . . . . 0.483 ' HA ' HD12 ' A' ' 994' ' ' LEU . 95.4 mt-30 -69.26 -37.41 77.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.882 0.373 . . . . 0.0 110.435 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 73.5 m -75.37 -5.87 47.05 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.272 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.507 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 78.2 t80 -95.04 -31.6 13.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.072 0.463 . . . . 0.0 109.862 175.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 990' ' ' SER . 61.2 mt -59.34 -40.4 86.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.468 177.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.838 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 52.2 tt0 -54.66 -63.71 2.61 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.759 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.838 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 12.2 Cg_exo -70.7 -33.65 12.69 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 121.897 1.732 . . . . 0.0 111.977 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.1 -49.43 75.07 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.463 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.22 -34.71 85.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.084 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.77 -37.6 86.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.817 0.341 . . . . 0.0 110.582 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 46.7 ttp -73.8 -33.14 64.09 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.233 -177.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 997' ' ' GLY . 58.1 t -62.56 -45.43 98.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.963 0.411 . . . . 0.0 110.03 175.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.1 88.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.604 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1003 ' ' ALA . . . . . 0.845 ' HB2' HD12 ' A' ' 951' ' ' LEU . . . -65.28 -41.73 93.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.822 177.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.633 ' O ' HG23 ' A' 1008 ' ' VAL . . . -60.71 -51.99 67.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.965 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.18 -32.1 66.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.656 -178.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -84.64 -21.87 30.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.675 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1007 ' ' SER . . . . . 0.48 ' O ' HG13 ' A' 1011 ' ' ILE . 14.4 t -90.67 -24.54 20.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.653 0.263 . . . . 0.0 110.893 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' 1004 ' ' ALA . 84.6 t -55.03 -51.03 82.96 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1009 ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' 1008 ' ' VAL . 35.2 Cg_endo -65.36 -20.82 61.61 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.871 1.714 . . . . 0.0 112.954 -176.26 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 72.8 p -84.93 -14.66 46.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.124 0.488 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' 1007 ' ' SER . 61.8 mt -81.88 116.08 25.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -86.83 -2.33 58.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.905 0.383 . . . . 0.0 110.974 -177.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.14 121.14 31.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.538 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1014 ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' 1018 ' ' MET . 80.9 mm-40 -63.55 -59.27 4.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.634 -171.067 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -61.94 -39.07 90.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.736 0.303 . . . . 0.0 111.102 -176.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 19.1 m -62.8 -44.38 96.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.891 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.449 ' HB2' ' HB ' ' A' 1011 ' ' ILE . . . -70.35 -41.8 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.137 -179.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1018 ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' 1014 ' ' GLN . 92.5 mtp -61.83 -42.47 99.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.283 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -68.14 -38.5 82.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.549 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1020 ' ' LEU . . . . . 0.554 HD11 HD11 ' A' ' 952' ' ' LEU . 2.1 tm? -61.0 -44.84 96.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.866 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1021 ' ' SER . . . . . 0.423 ' HB2' HG21 ' A' 1008 ' ' VAL . 47.9 t -68.38 -33.97 75.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -63.25 -48.0 80.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.22 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 72.0 m -60.63 -41.83 95.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.829 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.0 97.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 177.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -62.95 -44.88 94.85 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.441 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.32 -47.09 80.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.64 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 60.8 tp -63.58 -44.28 94.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.16 -39.63 92.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.165 -0.54 . . . . 0.0 112.439 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.8 m -77.42 -36.44 53.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 110.783 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.29 92.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.257 176.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.43 -31.04 68.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.769 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.54 -57.07 12.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.77 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.68 -22.48 34.54 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.046 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.38 -43.58 98.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.297 0.57 . . . . 0.0 109.715 174.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 32.0 ttp-105 -59.4 -40.23 85.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.652 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 29.4 m -72.2 -45.7 59.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.009 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -59.32 -50.39 74.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.38 -35.83 80.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1039 ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' 1043 ' ' GLU . 34.8 tt0 -67.28 -51.48 52.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -67.0 -31.38 71.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.898 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -68.91 -35.61 77.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.079 0.466 . . . . 0.0 110.262 175.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -68.52 -33.87 74.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.972 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1043 ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' 1039 ' ' GLN . 43.4 mt-10 -74.72 -38.42 62.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.101 177.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1044 ' ' ALA . . . . . 0.51 ' HB3' HD12 ' A' ' 913' ' ' LEU . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.09 -176.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.646 -0.582 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 14.5 tt -120.59 138.13 52.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.123 0.487 . . . . 0.0 111.163 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -127.15 83.71 65.32 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.775 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -102.86 -161.75 0.04 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.546 0 C-N-CA 123.533 2.822 . . . . 0.0 112.555 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 911' ' ' PHE . . . . . 0.483 ' HB3' ' OE1' ' A' ' 915' ' ' GLN . 69.7 t80 -162.76 -45.61 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 176.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 67.1 p -127.05 173.51 9.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.858 -1.065 . . . . 0.0 108.865 168.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 913' ' ' LEU . . . . . 0.549 ' HA ' ' HD3' ' A' ' 916' ' ' ARG . 64.0 mt -80.15 -20.41 44.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.403 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 914' ' ' VAL . . . . . 0.568 HG11 ' HG2' ' A' ' 983' ' ' GLN . 26.3 m -87.15 -26.55 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 915' ' ' GLN . . . . . 0.483 ' OE1' ' HB3' ' A' ' 911' ' ' PHE . 55.5 mt-30 -67.7 -18.41 64.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.228 0.537 . . . . 0.0 110.581 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 916' ' ' ARG . . . . . 0.624 ' NH2' ' HA ' ' A' 1037 ' ' ALA . 20.6 mtp-105 -67.38 -34.15 76.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.691 173.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 917' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 914' ' ' VAL . 20.9 mt -70.09 -40.03 75.22 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.009 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 918' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 83.5 mt-10 -53.75 -48.9 69.24 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.523 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -61.16 -53.96 50.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.988 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.42 73.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.67 -175.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -63.65 -35.31 80.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -173.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 922' ' ' LYS . . . . . 0.438 ' CG ' HG11 ' A' ' 970' ' ' VAL . 55.4 mtmt -59.36 -54.32 48.13 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.708 0.289 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -80.5 -17.65 50.93 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.278 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.52 -48.89 63.18 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 172.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 925' ' ' ALA . . . . . 0.713 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -60.05 -37.6 80.31 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.663 176.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.42 -54.9 21.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.911 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 42.7 m -60.29 -34.71 74.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.139 -178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 928' ' ' ALA . . . . . 0.523 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -62.25 -46.3 89.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.555 176.27 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 42.1 m -61.31 -36.16 79.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.538 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -68.02 -40.22 82.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.715 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 23.5 m -66.21 -39.41 89.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.496 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 932' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 928' ' ' ALA . 79.2 mt -63.83 -41.64 93.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.279 176.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -62.84 -39.48 94.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.669 177.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 934' ' ' ALA . . . . . 0.407 ' HB2' ' HG3' ' A' 1019 ' ' GLN . . . -65.7 -43.41 89.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.657 176.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 935' ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -64.24 -43.42 94.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.26 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -76.06 -4.91 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 0.0 111.641 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -106.8 -9.52 16.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.571 0.701 . . . . 0.0 109.302 173.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 938' ' ' ALA . . . . . 0.569 ' HB1' HD13 ' A' 1011 ' ' ILE . . . -87.11 -36.6 18.02 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.766 176.621 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -115.2 68.92 0.71 Allowed 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.139 175.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 54.6 m -75.57 -41.32 55.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.164 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 941' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' A' ' 942' ' ' PRO . . . -75.22 116.43 54.35 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.682 175.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 942' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 941' ' ' ALA . 24.5 Cg_exo -62.94 105.84 0.48 Allowed 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.008 2.472 . . . . 0.0 112.179 -177.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 943' ' ' LYS . . . . . 0.539 ' HA ' ' HG3' ' A' ' 949' ' ' GLN . 8.5 mtmp? 73.91 -51.32 0.69 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.577 0.751 . . . . 0.0 111.335 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 944' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 943' ' ' LYS . . . 74.88 123.59 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.663 0.785 . . . . 0.0 110.885 -177.337 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 37.4 m -58.01 112.5 1.53 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.23 -177.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . 64.12 21.22 12.5 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.133 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . -97.58 -173.63 33.7 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.81 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -94.2 112.84 0.19 Allowed 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 123.235 2.623 . . . . 0.0 112.565 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 949' ' ' GLN . . . . . 0.539 ' HG3' ' HA ' ' A' ' 943' ' ' LYS . 1.0 OUTLIER -76.96 117.15 63.07 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 174.533 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -83.57 159.1 14.51 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.776 2.317 . . . . 0.0 112.605 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 6.1 mp -84.19 0.02 50.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.734 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 952' ' ' LEU . . . . . 0.616 HD21 ' HA ' ' A' 1004 ' ' ALA . 95.6 mt -50.63 -53.24 32.4 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.429 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 953' ' ' VAL . . . . . 0.656 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 48.0 t -54.24 -41.71 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.14 -176.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 954' ' ' GLN . . . . . 0.723 ' HA ' ' HE2' ' A' ' 957' ' ' LYS . 26.6 mm-40 -64.11 -52.58 58.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.884 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 955' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 959' ' ' VAL . 16.7 m -64.95 -41.08 95.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.176 -178.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 87.0 m -59.4 -38.12 79.76 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.606 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 957' ' ' LYS . . . . . 0.723 ' HE2' ' HA ' ' A' ' 954' ' ' GLN . 51.9 mtmt -56.68 -53.61 55.68 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 120.755 0.312 . . . . 0.0 110.193 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 958' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -61.76 -48.38 80.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.277 -178.322 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 959' ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' ' 963' ' ' ILE . 95.6 t -59.33 -43.3 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.195 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -63.03 -19.81 64.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.786 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 961' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 66.8 mt-10 -90.34 -22.75 21.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.012 0.434 . . . . 0.0 110.616 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 962' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 958' ' ' ALA . 83.5 mm-40 -89.73 -25.85 20.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 963' ' ' ILE . . . . . 0.713 HG23 ' HB1' ' A' ' 925' ' ' ALA . 83.2 mt -55.17 -54.25 52.55 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.03 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 964' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 18.0 Cg_endo -59.04 -31.53 95.81 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.02 1.813 . . . . 0.0 112.159 177.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 70.7 mt -68.64 -39.1 80.9 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.816 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 966' ' ' LEU . . . . . 0.602 ' O ' HG23 ' A' ' 970' ' ' VAL . 66.9 mt -57.3 -59.54 4.96 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.087 0.47 . . . . 0.0 109.934 173.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.59 -34.19 60.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.099 -175.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -59.41 -43.45 93.0 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.056 0.455 . . . . 0.0 109.986 174.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -69.88 -43.49 65.88 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.033 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 970' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 966' ' ' LEU . 58.2 t -58.11 -55.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.893 0.378 . . . . 0.0 111.057 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -68.12 -23.66 64.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.705 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -71.6 -44.37 49.72 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.704 174.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 27.8 t -66.29 -34.84 78.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 110.331 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 974' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 55.3 mt-30 -65.85 -38.76 89.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.177 175.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -66.54 -49.57 66.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.812 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -129.72 89.49 46.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -76.4 -4.69 15.36 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.706 2.271 . . . . 0.0 112.441 178.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -99.0 -27.99 13.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.627 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 979' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 980' ' ' PRO . 71.4 m -86.32 111.83 41.76 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.637 -173.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 980' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 979' ' ' SER . 26.5 Cg_exo -61.62 -23.55 76.59 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.196 2.597 . . . . 0.0 112.43 -175.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 2.6 m -59.5 -41.82 90.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.227 178.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -67.55 -41.92 83.48 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.537 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 983' ' ' GLN . . . . . 0.568 ' HG2' HG11 ' A' ' 914' ' ' VAL . 2.3 mp0 -60.3 -52.38 65.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.324 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.87 -33.12 73.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.412 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.15 -32.23 73.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.976 0.417 . . . . 0.0 110.559 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 986' ' ' LEU . . . . . 0.443 HD22 ' HB3' ' A' ' 917' ' ' LEU . 2.3 tt -79.24 -47.79 15.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.529 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 987' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 983' ' ' GLN . 73.8 mt -57.48 -50.59 76.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.28 -177.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.74 92.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.028 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.01 94.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 990' ' ' SER . . . . . 0.554 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 37.1 m -61.92 -46.62 88.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.697 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 991' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -59.08 -43.5 91.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.237 0.541 . . . . 0.0 110.534 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 16.6 t -80.34 1.44 28.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.893 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 993' ' ' PHE . . . . . 0.523 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 81.8 t80 -102.91 -31.37 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.108 0.48 . . . . 0.0 109.804 175.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 994' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 990' ' ' SER . 72.0 mt -58.39 -42.32 86.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.529 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 995' ' ' GLN . . . . . 0.61 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 45.3 tt0 -58.04 -64.45 2.74 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.926 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 996' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 55.5 Cg_endo -69.93 -30.81 20.89 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 121.677 1.585 . . . . 0.0 112.179 -179.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 997' ' ' GLY . . . . . 0.495 ' O ' HG23 ' A' 1001 ' ' VAL . . . -65.22 -53.02 35.56 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.093 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.99 90.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.808 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -65.91 -38.31 88.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.714 -0.243 . . . . 0.0 111.076 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 51.7 ttp -72.75 -31.5 64.97 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.355 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1001 ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 997' ' ' GLY . 93.4 t -61.13 -48.64 88.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 173.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -63.87 -44.87 91.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.701 178.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.94 95.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.954 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1004 ' ' ALA . . . . . 0.616 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -60.31 -48.05 83.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.535 177.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 63.7 mttm -60.12 -40.57 90.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.231 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -72.69 -17.91 61.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.533 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1007 ' ' SER . . . . . 0.436 ' O ' HG13 ' A' 1011 ' ' ILE . 46.2 m -87.41 -28.25 22.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.986 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1008 ' ' VAL . . . . . 0.641 HG13 ' HB1' ' A' 1017 ' ' ALA . 98.9 t -51.47 -53.01 54.45 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -177.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1009 ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' 1008 ' ' VAL . 41.7 Cg_endo -68.1 -24.51 38.6 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.806 1.671 . . . . 0.0 112.847 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 63.0 p -87.04 7.49 27.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.155 0.502 . . . . 0.0 111.21 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1011 ' ' ILE . . . . . 0.569 HD13 ' HB1' ' A' ' 938' ' ' ALA . 86.6 mt -119.26 129.28 75.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.868 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -87.33 -16.07 36.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.046 0.45 . . . . 0.0 110.714 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 12.5 t70 -80.7 114.54 19.66 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -14.11 58.3 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.771 -173.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -73.04 -49.41 28.85 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1016 ' ' SER . . . . . 0.453 ' HB3' ' HA ' ' A' ' 938' ' ' ALA . 44.0 m -67.14 -36.6 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.25 175.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1017 ' ' ALA . . . . . 0.641 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -62.84 -47.56 82.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.337 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1018 ' ' MET . . . . . 0.51 ' HA ' ' CE ' ' A' 1018 ' ' MET . 21.2 mmt -71.17 -34.96 71.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.834 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1019 ' ' GLN . . . . . 0.407 ' HG3' ' HB2' ' A' ' 934' ' ' ALA . 57.4 tp60 -61.75 -43.47 98.78 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 17.6 mt -59.93 -50.45 73.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.23 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 41.7 t -57.13 -42.14 80.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.123 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -69.53 -45.11 69.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.823 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 77.8 m -65.67 -46.39 79.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.963 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1024 ' ' ALA . . . . . 0.431 ' HB1' HG13 ' A' 1001 ' ' VAL . . . -60.06 -35.23 74.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.745 0.307 . . . . 0.0 111.098 178.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -65.38 -47.38 76.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 110.458 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -66.5 -46.37 76.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.04 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.69 -42.39 97.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.435 177.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.95 -45.95 94.38 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.342 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 8.9 m -70.27 -34.2 72.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.065 0.46 . . . . 0.0 110.504 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.1 -45.37 95.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.277 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1031 ' ' LEU . . . . . 0.415 HD22 HD23 ' A' ' 994' ' ' LEU . 96.5 mt -68.66 -32.72 72.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.62 177.137 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.65 -49.5 77.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.047 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.99 -29.77 49.84 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.76 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 54.1 tp -65.38 -46.0 81.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.541 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -63.1 -47.06 84.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 11.1 m -61.81 -35.82 79.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.153 0.501 . . . . 0.0 110.495 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1037 ' ' ALA . . . . . 0.624 ' HA ' ' NH2' ' A' ' 916' ' ' ARG . . . -67.87 -51.24 50.45 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.56 177.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.8 90.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.264 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1039 ' ' GLN . . . . . 0.471 ' O ' ' HG2' ' A' 1043 ' ' GLU . 49.1 tt0 -56.29 -60.69 3.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.695 178.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1040 ' ' LYS . . . . . 0.485 ' O ' HD13 ' A' ' 913' ' ' LEU . 56.3 mtmt -80.82 13.75 2.5 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.633 -176.257 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -113.15 -7.27 13.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.109 0.481 . . . . 0.0 109.951 172.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -107.79 -59.77 1.8 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.484 -178.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1043 ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' 1039 ' ' GLN . 10.9 pt-20 -88.65 2.99 52.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.923 -176.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.17 -0.919 . . . . 0.0 109.726 179.396 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' 1041 ' ' ALA . 60.1 mt . . . . . 0 N--CA 1.471 0.591 0 CA-C-O 120.734 0.302 . . . . 0.0 111.439 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 29.2 m -72.71 -22.28 20.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.83 -51.14 66.8 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.379 177.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 916' ' ' ARG . 11.7 ptp180 -73.59 -30.52 63.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.609 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' A' 1038 ' ' ALA . 21.2 mt -61.09 -52.82 63.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.777 176.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.562 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 37.7 mt-10 -51.22 -54.38 26.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.231 0.539 . . . . 0.0 110.7 178.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -65.52 -44.81 85.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.102 -174.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.39 77.22 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.366 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -68.22 -36.25 79.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.352 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 94.0 mttt -61.71 -52.15 65.46 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.834 0.35 . . . . 0.0 110.489 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . 0.568 HE21 ' HA ' ' A' 1030 ' ' ALA . 12.4 pt20 -70.31 -27.39 64.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.666 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . 0.493 ' HA ' ' HB1' ' A' 1030 ' ' ALA . . . -67.26 -49.84 62.81 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . 0.468 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -58.39 -42.46 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.73 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.24 -52.76 60.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.284 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 47.0 m -66.64 -34.51 78.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.363 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . 0.551 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.55 -49.08 78.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.714 0.292 . . . . 0.0 110.847 178.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 45.5 m -56.37 -42.84 78.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.885 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -65.51 -42.25 92.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.054 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . 0.422 ' HA ' ' HB3' ' A' 1023 ' ' CYS . 25.3 m -64.09 -42.77 96.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.687 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.61 ' O ' ' HG2' ' A' ' 936' ' ' GLN . 89.9 mt -59.27 -47.73 89.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 937' ' ' HIS . . . -61.51 -27.61 68.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.763 -177.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -87.71 -41.94 12.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.32 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -61.1 -51.58 68.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.815 -175.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 13.8 pt20 -85.85 6.95 25.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.517 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . 0.45 ' HB2' ' O ' ' A' ' 933' ' ' ALA . 26.7 t60 . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 109.936 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.629 HD12 ' HB2' ' A' 1003 ' ' ALA . 1.8 tm? . . . . . 0 C--O 1.233 0.222 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . 0.619 HD21 ' HA ' ' A' 1004 ' ' ALA . 62.8 mt -50.5 -64.81 0.69 Allowed 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.191 173.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 98.6 t -60.6 -36.79 72.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.6 -174.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -63.29 -38.4 91.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.197 0.523 . . . . 0.0 110.544 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 36.5 m -81.2 -32.62 33.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.718 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . 0.545 ' HB3' HG23 ' A' ' 932' ' ' ILE . 93.4 m -56.01 -47.24 78.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.191 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -66.4 -35.45 80.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.404 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -67.11 -52.38 42.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.065 0.459 . . . . 0.0 110.448 177.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.535 ' O ' HG13 ' A' ' 963' ' ' ILE . 71.6 t -59.83 -41.33 85.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.26 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -56.02 -33.92 65.36 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -86.69 -14.34 42.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.676 0.274 . . . . 0.0 111.441 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 958' ' ' ALA . 29.7 mm-40 -90.73 -25.83 19.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.815 0.341 . . . . 0.0 110.498 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.688 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 91.3 mt -53.37 -53.57 54.95 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.138 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.688 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 49.2 Cg_exo -57.36 -34.42 97.88 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.042 1.828 . . . . 0.0 112.252 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.24 -42.05 96.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 970' ' ' VAL . 91.1 mt -56.49 -56.98 14.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.81 175.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 44.0 t -61.97 -36.29 73.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.237 -176.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -61.57 -44.76 96.43 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -63.71 -43.6 97.57 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.738 175.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 966' ' ' LEU . 70.1 t -56.23 -55.24 19.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.729 0.299 . . . . 0.0 110.643 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 971' ' ' ARG . 20.2 mtm180 -61.24 -34.18 74.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -65.32 -42.12 96.28 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.797 -0.715 . . . . 0.0 111.652 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . 0.551 ' HB2' HD12 ' A' ' 986' ' ' LEU . 28.9 t -67.99 -36.6 80.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.694 0.283 . . . . 0.0 110.719 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.548 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 24.5 mt-30 -61.32 -40.45 94.24 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.278 0.561 . . . . 0.0 110.306 177.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -77.39 -47.32 20.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.877 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -129.46 81.6 69.58 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.51 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -71.88 -18.16 28.33 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.69 2.26 . . . . 0.0 111.657 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -104.76 22.83 14.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.695 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 29.0 t -112.21 115.38 50.12 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.448 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.16 -26.26 82.08 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.645 2.23 . . . . 0.0 111.661 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 14.5 m -66.13 -47.01 75.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.22 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -73.0 -38.94 66.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.572 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . 0.478 ' O ' HG13 ' A' ' 987' ' ' ILE . 54.0 mt-30 -57.26 -61.17 2.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.142 177.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 984' ' ' LEU . 4.3 mm? -61.46 -32.06 72.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.3 -177.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -61.22 -49.93 75.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 110.519 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 973' ' ' SER . 1.2 tt -64.0 -46.45 84.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.848 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 983' ' ' GLN . 79.2 mt -58.83 -45.65 91.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.079 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -66.96 -45.36 77.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.873 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.14 89.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.583 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 50.6 m -59.33 -50.65 73.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.751 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . 0.721 ' HA ' HD12 ' A' ' 994' ' ' LEU . 48.4 mt-30 -67.96 -31.56 71.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.984 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 33.7 t -69.7 -32.19 70.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.354 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.551 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 83.1 t80 -75.77 -35.57 60.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.804 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 991' ' ' GLN . 70.4 mt -58.53 -38.39 77.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.592 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.673 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 46.5 tt0 -58.26 -60.43 10.2 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.11 -174.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 77.7 Cg_endo -78.32 -27.63 5.23 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.845 1.697 . . . . 0.0 112.233 177.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.448 ' O ' HG23 ' A' 1001 ' ' VAL . . . -64.29 -47.0 89.22 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.147 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.69 -33.72 86.1 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.056 -0.593 . . . . 0.0 112.005 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.6 -42.59 98.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.735 0.302 . . . . 0.0 110.612 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 45.8 ttp -69.7 -32.56 71.22 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.09 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 997' ' ' GLY . 65.5 t -65.33 -50.25 74.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.982 0.42 . . . . 0.0 110.152 175.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.764 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . 0.629 ' HB2' HD12 ' A' ' 951' ' ' LEU . . . -65.23 -44.54 87.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.877 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.619 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -55.94 -52.59 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.801 -177.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 68.9 mttm -58.22 -33.02 68.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.555 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -87.79 -15.81 35.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.426 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . 0.627 ' O ' HG13 ' A' 1011 ' ' ILE . 51.0 m -93.41 -21.16 19.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.062 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' 1004 ' ' ALA . 72.6 t -52.39 -53.84 48.67 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.17 -11.37 30.18 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.784 1.656 . . . . 0.0 112.743 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 44.9 p -105.24 5.02 31.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.95 0.405 . . . . 0.0 111.22 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' 1007 ' ' SER . 60.9 mt -85.67 128.98 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -76.07 -36.24 59.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.666 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.86 115.13 18.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.0 0.429 . . . . 0.0 110.526 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.48 -39.61 91.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.511 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.86 -50.15 75.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 22.6 m -62.89 -41.69 99.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.097 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -58.88 -53.7 55.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.973 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 90.0 mmm -65.05 -36.67 85.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -65.82 -47.05 76.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.244 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.95 -38.04 84.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.627 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 37.5 m -56.6 -48.77 76.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -69.39 -41.29 76.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.677 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 931' ' ' THR . 83.3 m -61.78 -49.62 75.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.338 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.4 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.82 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -68.32 -35.46 77.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.273 0.559 . . . . 0.0 110.103 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -73.02 -48.56 35.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.18 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . 0.469 ' O ' ' HG ' ' A' 1031 ' ' LEU . 48.9 tp -61.75 -42.42 98.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -178.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.59 -41.59 97.37 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.362 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 23.7 m -74.68 -33.86 62.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.113 0.483 . . . . 0.0 110.371 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . 0.568 ' HA ' HE21 ' A' ' 923' ' ' GLN . . . -61.96 -43.8 98.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.159 175.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . 0.643 HD22 HD23 ' A' ' 994' ' ' LEU . 88.1 mt -66.54 -35.91 81.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.408 176.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.48 -42.42 78.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.148 0.499 . . . . 0.0 110.6 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -69.33 -57.16 5.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.474 175.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . 0.445 ' HG ' ' HB3' ' A' ' 990' ' ' SER . 28.8 tp -57.25 -45.48 83.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.184 -173.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . 0.451 ' HA ' HD11 ' A' ' 994' ' ' LEU . 48.1 ttt180 -60.76 -41.43 95.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.03 0.443 . . . . 0.0 110.904 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . 0.534 HG22 ' HE2' ' A' 1040 ' ' LYS . 13.7 m -77.16 -32.22 56.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.28 0.562 . . . . 0.0 110.246 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.13 -53.08 55.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.132 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . 0.45 ' HA ' HD21 ' A' ' 917' ' ' LEU . . . -65.61 -31.63 72.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.693 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.84 -50.07 75.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.289 177.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . 0.534 ' HE2' HG22 ' A' 1036 ' ' THR . 68.7 mttm -67.81 -33.17 74.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.247 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . 0.484 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -77.32 -22.86 51.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.705 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 64.0 tt0 . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.319 -175.744 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.664 0.269 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . 0.566 HG21 ' HB2' ' A' ' 983' ' ' GLN . 25.3 m -80.88 -8.11 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.257 175.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.95 -35.89 82.17 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 174.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -63.81 -40.74 97.36 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.713 173.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . 0.741 ' HB3' HD22 ' A' ' 986' ' ' LEU . 47.1 mt -61.13 -42.32 98.32 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.217 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 70.4 mt-10 -53.71 -49.73 67.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.04 0.448 . . . . 0.0 110.583 176.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -68.56 -45.95 70.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.734 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -67.51 -39.31 85.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.63 -177.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.76 83.17 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.381 -0.128 . . . . 0.0 111.195 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 97.8 mttt -62.83 -48.03 80.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.682 0.277 . . . . 0.0 110.641 177.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -71.29 -34.53 70.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.752 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -64.65 -46.65 81.61 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . 0.623 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -58.17 -44.1 87.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.298 176.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.59 -57.77 9.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.241 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 62.5 m -57.67 -36.64 72.2 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.407 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . 0.536 ' O ' HG13 ' A' ' 932' ' ' ILE . . . -60.24 -43.54 95.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.167 175.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 28.2 m -60.4 -49.35 77.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.756 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -58.88 -37.45 76.58 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.714 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 13.9 m -68.48 -42.64 78.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.797 0.332 . . . . 0.0 110.332 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 928' ' ' ALA . 77.4 mt -62.38 -41.58 92.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.04 0.448 . . . . 0.0 110.186 177.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -61.39 -47.53 85.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.713 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.29 90.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.14 84.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.097 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -76.15 -36.14 58.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 53.0 m170 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -178.855 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 1.4 tm? . . . . . 0 N--CA 1.468 0.433 0 CA-C-O 120.469 0.176 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . 0.581 ' HA ' ' HB1' ' A' 1003 ' ' ALA . 1.6 tt -61.8 -45.99 91.47 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 177.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . 0.746 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 66.8 t -60.67 -38.08 77.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.918 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -60.95 -39.96 91.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.302 0.573 . . . . 0.0 110.018 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 959' ' ' VAL . 15.9 m -76.88 -43.04 37.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.259 -177.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . 0.746 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 32.1 p -65.57 -37.8 87.73 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 121.303 -0.159 . . . . 0.0 111.069 -176.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -63.31 -37.14 86.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.688 0.28 . . . . 0.0 110.636 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -68.25 -41.08 81.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.961 0.41 . . . . 0.0 110.449 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 963' ' ' ILE . 81.3 t -66.81 -40.13 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.925 178.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -59.8 -25.44 64.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.636 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -84.58 -22.08 30.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.826 0.346 . . . . 0.0 110.786 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . 0.581 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 11.8 mm100 -85.71 -25.58 26.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.743 -178.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.693 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 78.9 mt -54.04 -53.24 60.69 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.839 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.693 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 36.6 Cg_exo -59.08 -33.19 98.46 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.0 1.8 . . . . 0.0 112.114 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.62 -37.55 85.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.883 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 970' ' ' VAL . 72.6 mt -59.07 -58.67 7.61 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.965 173.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 38.3 t -62.17 -34.13 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.079 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -58.58 -45.46 89.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.93 -41.73 93.17 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.029 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 966' ' ' LEU . 46.3 t -56.55 -51.14 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 121.063 0.459 . . . . 0.0 110.196 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -64.4 -28.22 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.971 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -66.92 -42.87 92.54 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.689 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 32.7 t -68.02 -36.07 79.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.086 0.469 . . . . 0.0 109.897 176.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 51.2 mt-30 -70.97 -21.71 62.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 177.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -69.64 -60.27 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.134 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -140.2 91.75 9.84 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.952 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.86 -13.5 36.93 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.657 2.238 . . . . 0.0 111.364 176.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -81.71 -5.6 58.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.396 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 30.6 t -108.56 109.33 61.41 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.665 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.602 ' HA ' ' HG2' ' A' ' 983' ' ' GLN . 21.6 Cg_exo -65.64 -21.29 59.34 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.591 2.194 . . . . 0.0 111.223 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 14.6 m -73.84 -34.15 64.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.205 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -76.42 -45.72 30.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.027 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . 0.602 ' HG2' ' HA ' ' A' ' 980' ' ' PRO . 11.5 pt20 -65.5 -25.4 67.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.698 -177.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . 0.712 HD22 HD12 ' A' ' 987' ' ' ILE . 0.2 OUTLIER -57.51 -33.6 68.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.501 178.092 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -65.54 -24.26 67.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.037 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 917' ' ' LEU . 1.2 tt -81.35 -43.67 18.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . 0.712 HD12 HD22 ' A' ' 984' ' ' LEU . 62.8 mt -57.88 -50.66 77.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.614 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.08 97.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.788 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.83 95.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.23 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.616 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 37.1 m -58.81 -49.97 75.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.997 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . 0.641 ' HA ' HD12 ' A' ' 994' ' ' LEU . 77.3 mt-30 -67.31 -37.85 84.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.056 0.455 . . . . 0.0 110.682 -178.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 22.7 t -71.41 -16.24 62.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.786 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.412 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 86.6 t80 -90.04 -32.6 16.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.345 177.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 991' ' ' GLN . 79.0 mt -56.09 -42.95 77.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.244 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.87 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 48.5 tp60 -59.38 -60.79 9.41 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.906 -175.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.87 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 10.3 Cg_exo -72.23 -32.3 10.71 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.91 1.74 . . . . 0.0 112.016 178.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.425 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.09 -48.59 82.11 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.246 -178.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.06 -33.71 86.6 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.986 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -67.2 -32.62 73.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.535 0.207 . . . . 0.0 111.095 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . 0.432 ' HG3' ' HA ' ' A' ' 956' ' ' CYS . 8.4 tmm? -78.41 -33.44 48.66 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 997' ' ' GLY . 98.7 t -57.62 -48.32 83.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.761 172.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.05 -45.99 83.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.828 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . 0.581 ' HB1' ' HA ' ' A' ' 952' ' ' LEU . . . -58.47 -41.92 86.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.17 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.47 -53.67 55.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.795 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.39 -38.13 82.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.598 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -71.98 -24.8 61.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.494 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 41.0 m -86.91 -21.57 26.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.083 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' 1004 ' ' ALA . 94.8 t -50.48 -56.67 16.92 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . 0.456 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 43.1 Cg_endo -68.4 -20.82 41.64 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.922 1.748 . . . . 0.0 113.185 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 47.2 p -87.12 -11.88 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.357 . . . . 0.0 111.674 -177.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . . . . . . . . . 84.3 mt -94.58 137.15 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -83.85 -27.86 28.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.36 -174.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 12.6 t70 -75.84 94.23 3.3 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -66.75 -28.98 68.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.621 -172.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -62.29 -51.32 68.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.975 0.417 . . . . 0.0 110.49 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 16.5 m -72.09 -32.32 66.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.675 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.408 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -62.55 -47.79 82.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 94.5 mmm -67.7 -22.49 65.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 111.013 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -66.48 -36.53 82.97 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 20.1 mt -64.85 -45.25 86.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.753 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -38.19 69.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.076 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -73.55 -49.49 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 83.2 m -61.56 -43.14 99.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . 0.414 ' HB1' HG13 ' A' 1001 ' ' VAL . . . -61.29 -31.57 71.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.121 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -68.96 -49.03 61.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -61.93 -44.58 96.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.654 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' 1031 ' ' LEU . 54.7 tp -63.98 -39.68 94.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.442 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.67 98.49 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.3 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 22.4 m -71.59 -33.65 69.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.044 0.45 . . . . 0.0 110.375 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.21 -49.56 76.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.022 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . 0.518 HD22 HD23 ' A' ' 994' ' ' LEU . 95.6 mt -62.51 -34.23 76.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.797 177.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.58 -55.15 37.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.4 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.14 -27.46 48.19 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.901 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.01 -46.65 89.91 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -65.67 -36.02 82.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.735 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 41.1 m -67.32 -48.87 66.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.1 85.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.18 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . 0.453 ' HA ' HD11 ' A' ' 917' ' ' LEU . . . -59.47 -39.26 83.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.283 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -59.96 -52.56 64.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 -178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -72.98 -33.74 66.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.128 -177.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . 0.495 ' HB1' HG12 ' A' ' 914' ' ' VAL . . . -68.72 -29.74 68.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.149 0.499 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . 0.595 ' HA ' HD13 ' A' ' 987' ' ' ILE . 63.4 tt0 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.772 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 N--CA 1.465 0.291 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . 0.486 HG11 ' HG3' ' A' ' 983' ' ' GLN . 32.8 m -79.75 -27.76 12.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.465 175.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . 0.42 ' O ' ' HD2' ' A' ' 919' ' ' HIS . 6.4 tp-100 -63.85 -46.99 82.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.745 176.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -63.57 -43.75 96.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.773 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . 0.613 ' HG ' HD22 ' A' ' 986' ' ' LEU . 25.4 tp -58.19 -45.6 87.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.942 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -53.12 -57.77 9.3 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.998 0.427 . . . . 0.0 111.169 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . 0.42 ' HD2' ' O ' ' A' ' 915' ' ' GLN . 67.7 m-70 -65.57 -41.28 93.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.181 -175.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . 0.795 ' HA ' HE21 ' A' ' 923' ' ' GLN . . . -62.58 -45.1 94.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.153 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.17 84.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.28 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . 0.429 ' HG3' HG11 ' A' ' 970' ' ' VAL . 53.2 mtmt -65.38 -40.09 93.06 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . 0.795 HE21 ' HA ' ' A' ' 920' ' ' ALA . 30.3 pt20 -74.32 -30.67 62.15 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.331 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -67.02 -47.23 72.08 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . 0.607 ' HB2' HD23 ' A' ' 966' ' ' LEU . . . -59.68 -41.19 90.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.591 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 930' ' ' GLN . . . -65.27 -51.51 60.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.979 178.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 26.3 t -61.03 -37.22 81.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.486 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . 0.456 ' O ' HG13 ' A' ' 932' ' ' ILE . . . -60.82 -45.22 95.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.081 175.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 52.8 m -59.35 -43.52 92.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.525 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 926' ' ' ALA . 15.9 mm100 -62.2 -39.84 94.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.572 177.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . 0.492 ' HB ' ' HE1' ' A' 1000 ' ' MET . 15.9 m -69.03 -40.38 78.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.583 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 928' ' ' ALA . 70.3 mt -61.03 -50.58 79.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.36 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -58.73 -43.07 90.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.76 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.62 95.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.596 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.92 97.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.145 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 97.2 mt-30 -62.33 -41.06 98.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.956 0.408 . . . . 0.0 110.93 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 . . . . . 0 C--N 1.327 -0.402 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 -177.803 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--O 1.235 0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' 1004 ' ' ALA . 58.9 mt -57.83 -46.1 85.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.814 171.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.62 -50.6 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.106 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.14 -47.04 86.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.024 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . 0.473 ' O ' HG23 ' A' ' 959' ' ' VAL . 17.5 m -65.85 -49.79 66.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.9 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 88.4 m -59.51 -37.78 79.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.717 0.294 . . . . 0.0 111.25 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -62.8 -47.32 83.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.641 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -66.23 -41.64 89.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.196 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 963' ' ' ILE . 87.7 t -65.16 -41.56 92.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.718 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.97 -21.37 63.44 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.577 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.5 -31.27 21.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . 0.749 ' HG3' ' HG3' ' A' ' 996' ' ' PRO . 15.9 mm-40 -87.1 -28.36 22.56 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -176.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.682 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 72.6 mt -52.23 -53.94 47.07 Favored Pre-proline 0 N--CA 1.468 0.439 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.682 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 51.5 Cg_exo -55.25 -42.03 72.61 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.172 1.915 . . . . 0.0 112.37 178.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 91.8 mt -69.69 -35.55 75.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.014 0.435 . . . . 0.0 110.293 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 925' ' ' ALA . 51.2 tp -63.67 -51.77 63.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.096 175.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.18 -39.35 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.051 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -62.19 -38.68 90.03 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 174.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -61.08 -49.15 81.54 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.626 174.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.602 ' HA ' ' HG ' ' A' ' 986' ' ' LEU . 48.8 t -55.07 -55.03 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.007 0.432 . . . . 0.0 110.766 178.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -67.31 -27.78 67.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.182 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -66.56 -40.01 94.07 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.761 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . 0.617 ' OG ' ' HB2' ' A' ' 986' ' ' LEU . 17.5 m -70.92 -32.54 69.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 0.0 110.451 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 96.0 mt-30 -67.63 -35.76 79.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.81 99.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.069 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -133.11 75.45 71.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.318 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.59 2.03 6.84 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.8 2.333 . . . . 0.0 113.568 -172.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -115.48 0.63 13.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.983 0.42 . . . . 0.0 110.576 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 980' ' ' PRO . 50.0 m -105.66 122.84 41.3 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.185 -174.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 979' ' ' SER . 47.3 Cg_exo -56.52 -36.7 97.95 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.212 2.608 . . . . 0.0 113.169 -177.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 23.2 t -64.94 -34.22 77.91 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.035 0.445 . . . . 0.0 110.316 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . 0.502 ' HB1' ' HA ' ' A' ' 973' ' ' SER . . . -73.8 -42.9 60.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.153 177.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . 0.486 ' HG3' HG11 ' A' ' 914' ' ' VAL . 0.0 OUTLIER -55.16 -51.59 66.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.146 177.541 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . 0.49 HD13 HD12 ' A' ' 987' ' ' ILE . 4.4 mm? -65.83 -23.26 66.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.751 -177.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.65 99.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.465 178.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . 0.617 ' HB2' ' OG ' ' A' ' 973' ' ' SER . 0.6 OUTLIER -71.4 -44.01 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.892 177.644 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . 0.49 HD12 HD13 ' A' ' 984' ' ' LEU . 67.1 mt -57.74 -48.22 84.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.066 -178.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.69 88.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . 0.439 ' HB1' ' HA ' ' A' ' 966' ' ' LEU . . . -61.79 -40.94 96.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.291 -178.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.583 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 50.3 m -60.92 -50.18 74.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . 0.689 ' HA ' HD12 ' A' ' 994' ' ' LEU . 47.7 mt-30 -64.88 -39.99 94.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.827 -178.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 49.3 m -65.09 -35.4 81.02 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.905 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -71.14 -29.54 65.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.706 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 991' ' ' GLN . 84.2 mt -59.62 -36.61 76.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.089 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.613 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 53.0 tt0 -57.17 -63.36 3.76 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.151 -176.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.749 ' HG3' ' HG3' ' A' ' 962' ' ' GLN . 72.5 Cg_endo -76.25 -27.04 8.41 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.575 1.516 . . . . 0.0 112.213 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.37 -49.71 75.62 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.942 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.74 -30.3 74.54 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.204 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 63.4 mttm -62.79 -43.59 98.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.668 0.271 . . . . 0.0 110.679 178.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . 0.492 ' HE1' ' HB ' ' A' ' 931' ' ' THR . 43.4 ttp -72.94 -30.26 63.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.349 -177.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 997' ' ' GLY . 65.7 t -61.24 -46.66 96.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.14 0.495 . . . . 0.0 109.987 174.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -68.54 -45.07 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.77 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.05 92.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.041 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.636 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.11 -52.09 67.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.64 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -60.45 -38.67 84.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.244 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -81.65 -19.53 41.51 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -175.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . 0.489 ' O ' HG13 ' A' 1011 ' ' ILE . 8.7 t -88.6 -20.85 24.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.809 0.337 . . . . 0.0 110.465 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.835 HG13 ' HB1' ' A' 1017 ' ' ALA . 54.3 t -50.3 -53.14 47.82 Favored Pre-proline 0 CA--C 1.545 0.771 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.076 177.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.31 -16.98 24.58 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.965 1.777 . . . . 0.0 113.896 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 35.2 p -90.88 -31.29 16.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 111.46 -178.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' 1007 ' ' SER . 87.0 mt -62.31 -45.51 98.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.051 0.453 . . . . 0.0 110.687 177.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 60.11 28.16 17.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.935 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' 1014 ' ' GLN . 17.6 t70 -95.5 -14.64 23.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.378 0.609 . . . . 0.0 110.07 177.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.523 ' O ' ' HG3' ' A' 1018 ' ' MET . 27.1 mt-30 69.52 -71.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.341 -177.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -59.91 -53.59 56.13 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -173.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 15.0 m -63.16 -35.64 80.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.193 0.521 . . . . 0.0 110.657 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.835 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -69.3 -36.34 76.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.367 -178.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . 0.523 ' HG3' ' O ' ' A' 1014 ' ' GLN . 67.6 mtt -65.51 -32.28 73.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.052 0.453 . . . . 0.0 110.232 177.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -65.55 -43.36 90.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.802 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.06 -45.26 91.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.261 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 12.6 t -61.87 -37.95 86.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.697 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -68.07 -44.75 75.61 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.929 0.395 . . . . 0.0 110.652 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . 0.412 ' HB3' ' OG1' ' A' ' 931' ' ' THR . 70.3 m -64.3 -45.41 88.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -178.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.9 -29.71 70.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.963 0.411 . . . . 0.0 111.125 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -61.9 -48.87 78.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.153 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -70.33 -52.14 24.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.979 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' 1031 ' ' LEU . 55.3 tp -56.98 -44.89 83.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.37 -176.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -57.82 -46.27 92.55 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.786 -178.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 10.5 m -80.08 -25.8 39.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.878 0.371 . . . . 0.0 111.183 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -64.45 -45.31 88.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' 1027 ' ' LEU . 89.4 mt -66.39 -31.86 72.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.756 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.23 -55.7 31.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.577 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -81.68 -17.47 47.86 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.913 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.19 -42.66 99.49 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -62.74 -42.84 99.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.351 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 17.4 m -62.06 -45.01 95.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.195 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -66.72 -43.84 83.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.16 77.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.977 0.418 . . . . 0.0 110.671 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.82 -57.35 13.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.34 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 86.1 mttt -63.15 -32.69 74.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.446 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -69.01 -30.14 68.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.689 -178.328 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 82.2 mt . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 121.073 0.463 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . 0.655 HG23 HE21 ' A' ' 915' ' ' GLN . 20.0 m -87.58 -27.39 5.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.986 -177.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . 0.655 HE21 HG23 ' A' ' 914' ' ' VAL . 13.4 mm-40 -68.45 -41.84 79.66 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.144 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -67.56 -27.68 67.15 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.64 -52.09 35.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.112 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -53.81 -40.15 66.1 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 176.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -62.11 -50.38 72.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.277 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . 0.553 ' HA ' HE21 ' A' ' 923' ' ' GLN . . . -67.45 -42.66 82.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.2 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -58.74 -48.07 82.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -67.57 -42.39 82.64 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.351 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . 0.553 HE21 ' HA ' ' A' ' 920' ' ' ALA . 28.4 pt20 -73.64 -29.14 62.16 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.746 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.46 83.25 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.73 81.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.316 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -64.56 -52.27 58.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.194 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 60.2 m -63.03 -35.79 81.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.861 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . 0.562 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -59.87 -49.66 76.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.183 175.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 25.3 m -57.46 -43.21 83.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.623 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.74 -47.84 84.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.617 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . 0.411 ' OG1' ' HB3' ' A' 1023 ' ' CYS . 19.0 m -62.78 -42.06 99.53 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.87 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.62 HD12 HD11 ' A' ' 963' ' ' ILE . 72.1 mt -65.25 -45.27 94.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.719 0.295 . . . . 0.0 111.296 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.37 92.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.599 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -66.61 -40.4 88.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.494 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.497 ' HB1' ' HG ' ' A' ' 952' ' ' LEU . . . -56.87 -56.67 18.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.527 -178.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -71.08 -18.17 62.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.88 -175.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 120.776 0.322 . . . . 0.0 110.68 178.784 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 121.039 0.447 . . . . 0.0 109.934 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . 0.497 ' HG ' ' HB1' ' A' ' 935' ' ' ALA . 42.0 tp -55.63 -45.6 77.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.109 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . 0.73 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 53.2 t -65.25 -39.57 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -60.39 -41.09 93.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 48.8 m -72.09 -47.44 51.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.183 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . 0.73 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 22.3 p -65.61 -25.91 67.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.982 0.42 . . . . 0.0 110.652 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 953' ' ' VAL . 19.6 tptp -62.64 -46.14 89.6 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.929 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -66.47 -52.29 47.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.409 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 963' ' ' ILE . 60.7 t -55.35 -39.25 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.365 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -58.44 -27.1 64.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.528 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -81.64 -35.25 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.88 0.372 . . . . 0.0 110.75 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . 0.532 ' HA ' HD12 ' A' ' 965' ' ' LEU . 1.8 mp0 -76.51 -17.95 58.99 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.62 HD11 HD12 ' A' ' 932' ' ' ILE . 72.3 mt -56.31 -57.0 25.57 Favored Pre-proline 0 N--CA 1.47 0.543 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.6 Cg_endo -60.1 -31.81 93.84 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.987 1.791 . . . . 0.0 111.917 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 962' ' ' GLN . 97.9 mt -63.0 -42.47 99.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.537 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 970' ' ' VAL . 57.9 mt -60.0 -59.28 5.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.617 175.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . 0.489 ' O ' ' HG2' ' A' ' 971' ' ' ARG . 52.2 t -60.63 -42.74 92.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.749 -173.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -69.73 -30.29 67.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.627 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.24 -42.21 97.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.462 -0.875 . . . . 0.0 110.933 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 966' ' ' LEU . 41.3 t -60.83 -42.62 93.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.949 0.404 . . . . 0.0 109.913 174.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 967' ' ' VAL . 27.5 mmt180 -60.62 -37.57 81.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -65.98 -40.36 95.24 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.599 175.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . 0.422 ' HB2' HD12 ' A' ' 986' ' ' LEU . 47.4 t -62.57 -43.33 99.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.861 0.362 . . . . 0.0 110.77 177.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 87.3 mt-30 -65.3 -22.81 66.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -78.47 -47.16 18.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.494 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -134.36 88.82 29.04 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.609 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.584 ' HA ' ' NE2' ' A' ' 983' ' ' GLN . 48.1 Cg_endo -69.75 -23.47 30.79 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.991 2.46 . . . . 0.0 113.002 -177.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -93.52 -35.14 13.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.65 0.262 . . . . 0.0 110.899 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.441 ' HA ' ' HD2' ' A' ' 980' ' ' PRO . 46.6 t -67.82 119.13 64.26 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.997 0.427 . . . . 0.0 111.192 -176.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 979' ' ' SER . 24.7 Cg_endo -62.61 -29.37 77.89 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.869 2.38 . . . . 0.0 111.546 176.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 3.9 m -61.95 -35.9 79.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.766 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -81.38 -42.71 20.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.68 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . 0.584 ' NE2' ' HA ' ' A' ' 977' ' ' PRO . 81.1 mm-40 -63.82 -39.73 94.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.272 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 980' ' ' PRO . 15.2 tp -57.2 -32.9 66.95 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.328 -177.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.72 99.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 973' ' ' SER . 0.7 OUTLIER -70.39 -47.37 61.16 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.354 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' A' 1042 ' ' GLN . 78.5 mt -57.28 -46.64 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.09 -178.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.92 82.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.855 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.02 84.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.976 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.641 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 44.1 m -60.74 -46.98 88.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.804 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . 0.576 ' HA ' HD12 ' A' ' 994' ' ' LEU . 47.0 mt-30 -66.42 -38.73 88.11 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.069 0.462 . . . . 0.0 110.817 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 29.0 t -74.87 -6.72 50.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.58 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.562 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 91.6 t80 -98.12 -29.95 12.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 109.974 176.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 990' ' ' SER . 81.2 mt -58.42 -42.44 87.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.268 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.807 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 24.0 tp60 -63.48 -60.0 10.46 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.03 -177.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.807 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 18.5 Cg_exo -66.97 -39.97 12.91 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.025 1.817 . . . . 0.0 111.976 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' 1001 ' ' VAL . . . -61.92 -43.47 99.14 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.348 -178.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.68 -37.86 94.17 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.058 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -70.97 -29.03 64.91 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.399 -0.12 . . . . 0.0 111.191 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . 0.588 ' SD ' ' HA ' ' A' ' 956' ' ' CYS . 50.3 ttp -72.96 -33.59 65.98 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 997' ' ' GLY . 75.9 t -60.52 -47.64 91.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.77 174.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -62.57 -51.56 66.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.964 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -60.98 -38.99 87.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.61 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' 1008 ' ' VAL . . . -62.96 -53.23 57.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.737 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.29 -35.1 76.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.379 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -76.65 -20.6 56.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.102 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . 0.444 ' O ' HG13 ' A' 1011 ' ' ILE . 24.9 t -87.95 -23.29 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.494 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' 1004 ' ' ALA . 77.5 t -51.1 -50.65 74.12 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' 1008 ' ' VAL . 36.0 Cg_endo -67.05 -24.78 44.72 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.921 1.747 . . . . 0.0 113.272 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 74.6 p -84.1 -5.1 59.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.37 0.605 . . . . 0.0 110.603 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . 0.643 HG22 ' H ' ' A' 1013 ' ' ASP . 86.5 mt -99.5 133.39 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.661 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -111.56 23.25 14.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.236 0.541 . . . . 0.0 110.945 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . 0.643 ' H ' HG22 ' A' 1011 ' ' ILE . 31.6 t70 -111.4 109.54 19.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.124 170.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -55.78 -44.63 77.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.159 -173.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.59 73.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.731 0.301 . . . . 0.0 111.193 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 22.6 m -66.49 -41.33 89.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.085 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.49 -49.99 74.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.273 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . 0.431 ' HA ' ' CE ' ' A' 1018 ' ' MET . 20.5 mmt -68.15 -36.32 79.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.667 -178.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -59.47 -50.51 73.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.343 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.01 -42.13 93.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.297 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 38.0 m -59.13 -42.8 91.49 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.836 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.96 -46.96 40.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.615 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . 0.411 ' HB3' ' OG1' ' A' ' 931' ' ' THR . 84.5 m -57.71 -50.82 71.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.266 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.26 77.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.869 0.366 . . . . 0.0 111.001 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -63.89 -45.82 87.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.179 0.514 . . . . 0.0 110.392 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -72.8 -37.61 67.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.492 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' 1031 ' ' LEU . 55.8 tp -59.72 -38.11 80.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.52 177.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.0 -46.59 93.5 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.318 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 37.1 m -72.17 -33.81 67.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.892 0.377 . . . . 0.0 110.774 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -57.55 -46.2 84.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.825 175.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' 1027 ' ' LEU . 96.3 mt -65.59 -34.6 78.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.764 176.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -59.71 -59.22 5.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.453 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -76.76 -19.46 57.6 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.554 -0.459 . . . . 0.0 111.193 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.61 -50.06 68.66 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 172.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -62.1 -42.02 98.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.088 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 38.4 m -59.57 -45.87 90.59 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.079 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -68.68 -50.73 48.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.068 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -56.75 -44.44 81.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.414 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -55.93 -54.07 49.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.995 0.426 . . . . 0.0 111.411 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -73.84 -15.81 61.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.86 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -91.25 -30.72 16.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.926 0.394 . . . . 0.0 110.693 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . 0.452 ' HA ' HD13 ' A' ' 987' ' ' ILE . 63.8 tt0 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.873 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.611 0.243 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . 0.532 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 35.6 m -70.58 -30.52 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.153 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -63.99 -36.28 83.46 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.482 0.658 . . . . 0.0 110.033 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -68.96 -34.22 74.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.92 177.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . 0.551 HD11 ' HA ' ' A' 1038 ' ' ALA . 20.2 mt -62.56 -47.32 84.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.025 174.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 66.0 mt-10 -49.26 -58.02 5.78 Favored 'General case' 0 C--N 1.332 -0.157 0 O-C-N 123.633 0.583 . . . . 0.0 110.64 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -69.25 -34.76 75.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.532 -175.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . 0.4 ' HA ' ' HG2' ' A' ' 923' ' ' GLN . . . -70.31 -41.27 73.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.259 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.09 79.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . 0.529 ' CG ' HG11 ' A' ' 970' ' ' VAL . 54.6 mtpt -66.44 -46.07 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.772 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 920' ' ' ALA . 11.2 pt20 -71.13 -31.19 67.42 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.371 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.25 75.33 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 175.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . 0.453 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.22 -41.08 87.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.54 176.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.95 -53.94 42.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.985 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 39.5 m -60.6 -36.1 77.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.87 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . 0.621 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -62.23 -48.52 79.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.274 176.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 26.6 m -59.57 -42.06 91.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.475 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -63.28 -44.37 95.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 26.6 m -65.4 -40.88 93.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.356 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.601 HG23 ' SG ' ' A' ' 956' ' ' CYS . 45.6 mt -58.3 -49.39 82.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.61 175.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -57.41 -42.78 82.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.189 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -71.64 -36.31 70.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.935 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -64.7 -35.77 82.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.699 -178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 13.4 pt20 -101.66 23.67 10.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.758 0.313 . . . . 0.0 111.343 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 18.8 t60 . . . . . 0 C--N 1.325 -0.478 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.014 179.094 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 23.9 mt -51.28 -43.3 61.57 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 52.5 t -59.46 -36.63 65.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.062 0.458 . . . . 0.0 110.924 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . 0.545 ' HA ' ' HE2' ' A' ' 957' ' ' LYS . 53.2 mm-40 -77.42 -47.45 19.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.318 -177.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 8.7 m -63.06 -37.1 85.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.731 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . 0.601 ' SG ' HG23 ' A' ' 932' ' ' ILE . 42.3 t -56.39 -43.68 79.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.073 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . 0.545 ' HE2' ' HA ' ' A' ' 954' ' ' GLN . 52.9 mtmt -61.9 -41.2 97.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.763 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.8 82.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.448 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 963' ' ' ILE . 83.2 t -63.91 -41.49 92.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.81 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -58.5 -27.46 64.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.175 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 41.5 mm-40 -87.2 -22.16 25.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.834 0.349 . . . . 0.0 111.059 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . 0.707 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 86.0 mm-40 -90.4 -26.72 19.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.61 -176.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 959' ' ' VAL . 82.6 mt -54.31 -54.11 51.72 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.1 Cg_endo -59.76 -30.98 93.33 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.028 1.818 . . . . 0.0 112.262 178.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.42 -36.55 79.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.591 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 970' ' ' VAL . 87.5 mt -61.18 -60.6 3.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.103 0.478 . . . . 0.0 109.997 173.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 43.6 t -58.5 -41.79 82.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.737 -174.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.04 -45.97 91.06 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -62.94 -43.04 99.49 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.04 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 966' ' ' LEU . 61.1 t -56.97 -51.92 62.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.862 0.363 . . . . 0.0 110.605 177.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -60.71 -33.98 73.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.673 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.21 -42.13 99.72 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.877 -0.677 . . . . 0.0 111.898 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 35.8 t -74.15 -39.21 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.788 0.328 . . . . 0.0 110.834 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.2 -25.95 68.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.288 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . 0.402 ' O ' ' HD3' ' A' ' 977' ' ' PRO . . . -95.05 -46.91 6.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.919 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . 0.485 ' HB3' ' OG ' ' A' ' 979' ' ' SER . 29.4 mt-30 -108.45 96.95 20.59 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.904 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 975' ' ' ALA . 89.2 Cg_endo -90.79 13.74 2.12 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.764 2.309 . . . . 0.0 114.312 -172.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -143.18 -32.96 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.173 -0.611 . . . . 0.0 112.513 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.485 ' OG ' ' HB3' ' A' ' 976' ' ' GLN . 10.1 p -66.43 116.68 36.48 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.308 . . . . 0.0 111.211 -178.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.97 -33.76 73.95 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.195 2.596 . . . . 0.0 112.998 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 2.5 p -61.24 -24.63 66.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.769 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -80.11 -52.86 7.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.393 . . . . 0.0 110.666 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . 0.478 ' O ' HG13 ' A' ' 987' ' ' ILE . 22.2 mp0 -65.48 -44.63 86.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.571 -178.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.97 -24.3 67.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.494 0.188 . . . . 0.0 111.266 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -69.24 -45.85 68.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.067 0.461 . . . . 0.0 109.921 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 917' ' ' LEU . 4.1 tt -63.77 -50.64 68.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.771 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 983' ' ' GLN . 71.3 mt -57.83 -44.35 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.245 -177.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.08 85.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.765 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.6 80.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.077 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.579 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.6 m -58.87 -52.08 67.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.878 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . 0.661 ' HA ' HD12 ' A' ' 994' ' ' LEU . 70.8 mt-30 -66.4 -37.33 85.01 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.315 0.578 . . . . 0.0 110.257 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 42.7 t -65.26 -25.58 67.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.826 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.621 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 87.3 t80 -87.61 -30.05 20.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 991' ' ' GLN . 98.1 mt -53.11 -48.65 67.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.625 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.743 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 20.8 tp60 -62.02 -58.65 16.53 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -177.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 52.4 Cg_exo -57.09 -41.03 79.0 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.123 1.882 . . . . 0.0 112.174 177.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' 1001 ' ' VAL . . . -59.37 -50.41 68.09 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.86 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.65 -35.36 89.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.344 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . 0.454 ' HG3' HE21 ' A' ' 995' ' ' GLN . 96.5 mttt -63.23 -39.13 93.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.569 0.223 . . . . 0.0 110.863 177.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 50.2 ttp -76.27 -31.07 58.08 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.126 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 997' ' ' GLY . 99.1 t -60.46 -50.01 82.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.91 0.386 . . . . 0.0 110.007 174.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.71 92.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.977 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.36 90.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.019 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' 1008 ' ' VAL . . . -63.89 -46.66 83.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.739 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.6 mttt -60.68 -33.5 72.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -77.76 -20.62 53.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.066 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . 0.572 ' O ' HG13 ' A' 1011 ' ' ILE . 36.5 t -92.42 -14.19 28.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.999 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' 1004 ' ' ALA . 73.5 t -56.41 -52.19 75.11 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' 1008 ' ' VAL . 48.7 Cg_endo -68.92 -18.0 41.22 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 121.758 1.639 . . . . 0.0 113.395 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 49.0 p -85.27 -14.17 47.47 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.024 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' 1017 ' ' ALA . 63.1 mt -77.2 125.07 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.943 176.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -74.67 -31.3 61.88 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -75.26 97.35 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.418 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' 1018 ' ' MET . 76.0 mt-30 -60.56 -39.56 88.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.981 -172.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.66 91.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 37.4 m -68.08 -29.17 68.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.582 ' HA ' HD12 ' A' 1011 ' ' ILE . . . -65.98 -45.12 82.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.074 0.464 . . . . 0.0 110.211 175.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' 1014 ' ' GLN . 64.3 mtt -64.41 -34.14 77.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.076 176.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.18 -53.66 54.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.452 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.63 -42.72 88.9 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 39.5 t -59.74 -42.23 92.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.519 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.63 -40.09 80.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.939 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 80.2 m -57.76 -52.73 64.26 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.541 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . 0.4 ' HB1' HG13 ' A' 1001 ' ' VAL . . . -65.06 -37.41 87.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.158 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -60.95 -46.05 92.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.557 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -69.55 -38.31 77.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.656 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' 1031 ' ' LEU . 55.9 tp -58.78 -37.95 77.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.118 175.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.48 -40.74 96.59 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.396 176.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 74.7 m -73.37 -35.98 66.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.97 0.414 . . . . 0.0 110.531 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.28 89.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.031 175.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . 0.495 HD22 ' HA ' ' A' ' 994' ' ' LEU . 88.6 mt -68.08 -36.55 80.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.561 175.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.32 -61.84 2.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.865 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.19 -30.13 69.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.012 -176.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 52.7 tp -65.09 -47.43 77.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.112 0.482 . . . . 0.0 110.192 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -58.35 -47.94 82.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.458 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 35.9 m -64.42 -44.07 92.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.446 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.0 96.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.902 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . 0.551 ' HA ' HD11 ' A' ' 917' ' ' LEU . . . -63.06 -39.49 94.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.826 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -60.94 -47.95 84.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.126 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.76 -46.3 69.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.241 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -65.17 -36.55 84.58 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -174.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . 0.443 ' HB2' HG21 ' A' ' 987' ' ' ILE . 63.8 tt0 . . . . . 0 C--N 1.326 -0.444 0 CA-C-O 120.714 0.292 . . . . 0.0 111.104 -176.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 41.8 mt . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.219 0.533 . . . . 0.0 109.881 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . 0.481 HG11 ' HB2' ' A' ' 983' ' ' GLN . 6.7 m -81.16 -23.7 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.084 -176.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.12 -32.12 73.43 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.696 0.76 . . . . 0.0 109.777 173.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -66.06 -37.54 86.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.208 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . 0.624 ' HB3' HD22 ' A' ' 986' ' ' LEU . 95.1 mt -64.23 -36.07 82.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.13 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -55.2 -48.55 73.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.129 0.49 . . . . 0.0 110.744 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -75.95 -43.87 42.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.743 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . 0.47 ' HA ' ' HG2' ' A' ' 923' ' ' GLN . . . -63.4 -38.91 92.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.783 -176.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.32 87.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.737 0.304 . . . . 0.0 111.113 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -69.95 -41.71 74.16 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.291 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 920' ' ' ALA . 19.1 pt20 -70.37 -31.05 68.15 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.722 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -71.01 -45.19 64.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.999 0.428 . . . . 0.0 110.035 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . 0.546 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.92 -33.22 71.58 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.735 177.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -74.61 -55.39 5.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.295 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 19.8 p -62.47 -34.99 77.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 111.478 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . 0.58 ' HB1' HG11 ' A' ' 959' ' ' VAL . . . -59.21 -44.62 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.772 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 38.8 m -62.0 -41.32 97.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.543 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -63.03 -42.75 99.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.246 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 27.9 m -65.57 -37.91 88.04 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.9 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.548 ' O ' ' HG2' ' A' ' 936' ' ' GLN . 78.3 mt -61.51 -49.12 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 120.883 0.373 . . . . 0.0 110.279 175.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -57.3 -41.73 80.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.536 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -66.79 -49.76 64.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.863 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.607 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -54.66 -57.31 11.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.367 -175.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 26.4 pt20 -73.64 -11.08 60.3 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -173.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 22.7 m170 . . . . . 0 C--N 1.327 -0.41 0 CA-C-O 120.881 0.372 . . . . 0.0 111.153 179.154 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 951' ' ' LEU . 3.1 mm? . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . 0.657 HD21 ' HA ' ' A' 1004 ' ' ALA . 76.5 mt -47.3 -60.82 2.23 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 122.93 0.492 . . . . 0.0 112.319 -178.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 43.3 t -51.74 -42.93 32.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 111.486 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -71.61 -39.23 70.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.653 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 15.7 m -70.42 -39.89 74.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.766 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 99.5 m -61.84 -35.7 79.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.189 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 961' ' ' GLU . 98.8 mttt -66.96 -40.89 87.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 0.0 110.52 176.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.83 -48.25 66.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.864 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.58 HG11 ' HB1' ' A' ' 928' ' ' ALA . 89.8 t -60.97 -38.8 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.817 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -62.84 -20.96 65.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.754 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 42.1 mt-10 -83.94 -26.99 28.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.077 0.465 . . . . 0.0 110.338 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . 0.709 ' HG3' ' HG3' ' A' ' 996' ' ' PRO . 11.2 mm100 -91.99 -26.92 18.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.563 -172.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.694 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 86.6 mt -54.59 -53.44 60.11 Favored Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.743 177.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.694 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 36.9 Cg_exo -59.09 -35.69 97.6 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.096 1.864 . . . . 0.0 111.895 176.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 73.6 mt -64.29 -40.3 95.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.717 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 970' ' ' VAL . 55.0 mt -56.79 -61.75 2.22 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.186 174.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 57.7 t -60.68 -36.63 71.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.304 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -62.03 -43.84 97.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.9 -43.46 96.0 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.987 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 966' ' ' LEU . 43.8 t -57.2 -55.7 19.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.746 0.307 . . . . 0.0 110.25 177.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -60.15 -37.97 81.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.448 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.7 -39.98 98.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.814 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 15.3 m -77.0 -16.41 59.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.815 0.34 . . . . 0.0 110.876 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 25.9 mt-30 -84.38 -44.08 14.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.004 0.431 . . . . 0.0 110.302 175.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -66.09 -33.36 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.977 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -97.01 104.65 19.62 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 174.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.0 -61.14 0.63 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.046 2.497 . . . . 0.0 112.869 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -138.11 81.07 1.84 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.132 0.492 . . . . 0.0 109.675 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.413 ' HA ' ' HD2' ' A' ' 980' ' ' PRO . 29.8 t -120.18 122.71 28.7 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.471 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.603 ' HA ' ' HG2' ' A' ' 983' ' ' GLN . 23.0 Cg_endo -62.76 -30.68 78.3 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.453 2.102 . . . . 0.0 111.295 177.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 47.6 t -68.12 -40.56 82.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.206 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -70.08 -50.53 39.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . 0.603 ' HG2' ' HA ' ' A' ' 980' ' ' PRO . 20.4 pt20 -60.28 -38.54 83.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.219 -176.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . 0.422 HD13 HD12 ' A' ' 987' ' ' ILE . 3.2 mm? -66.26 -33.26 75.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.94 177.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -68.11 -34.66 76.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.138 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 917' ' ' LEU . 0.6 OUTLIER -64.91 -47.56 77.34 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 983' ' ' GLN . 67.5 mt -56.56 -47.55 81.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.295 177.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -56.04 -49.82 72.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.263 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.87 97.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.008 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.514 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 30.6 m -58.91 -50.63 73.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.13 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . 0.657 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.7 mt-30 -65.11 -39.32 92.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.104 0.478 . . . . 0.0 110.969 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 55.0 m -69.49 -20.76 63.73 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.513 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.492 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 85.7 t80 -83.49 -28.58 28.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.943 0.402 . . . . 0.0 110.326 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 991' ' ' GLN . 71.0 mt -60.82 -37.65 82.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.127 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.59 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 52.0 tp60 -56.28 -62.38 4.92 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.003 -178.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.709 ' HG3' ' HG3' ' A' ' 962' ' ' GLN . 73.8 Cg_endo -76.39 -30.93 4.86 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.508 1.472 . . . . 0.0 112.492 179.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.462 ' O ' HG23 ' A' 1001 ' ' VAL . . . -64.64 -51.33 52.81 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.084 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -67.41 -20.88 71.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.996 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -77.25 -35.67 55.19 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 53.9 ttp -74.47 -27.42 60.58 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.154 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 997' ' ' GLY . 77.0 t -60.07 -48.28 88.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.99 174.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -67.51 -42.21 83.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.48 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -57.19 -41.83 80.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.07 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.657 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -64.99 -49.22 71.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.78 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 68.8 mttm -59.53 -36.88 77.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.208 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -77.51 -19.3 56.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.468 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . 0.504 ' O ' HG13 ' A' 1011 ' ' ILE . 68.2 m -92.92 -15.48 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.481 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.562 HG13 ' HB1' ' A' 1017 ' ' ALA . 80.9 t -54.91 -51.69 77.13 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' 1008 ' ' VAL . 41.1 Cg_endo -68.53 -17.23 43.46 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.991 1.794 . . . . 0.0 113.344 -178.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 46.9 p -88.4 -3.67 58.79 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.191 0.52 . . . . 0.0 111.09 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . 0.559 HD11 HD12 ' A' 1020 ' ' LEU . 66.9 mt -95.83 132.58 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.585 176.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . 0.886 ' HA ' HE21 ' A' 1012 ' ' GLN . 0.0 OUTLIER -84.7 -37.02 21.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.838 0.352 . . . . 0.0 110.269 -179.078 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -69.91 110.64 5.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.928 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -57.42 -38.58 74.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.357 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.99 98.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 0.0 110.761 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . 0.511 ' HB2' HG21 ' A' 1011 ' ' ILE . 19.9 m -67.14 -39.77 86.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.053 0.454 . . . . 0.0 110.198 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.562 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -63.6 -42.84 98.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.586 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 87.2 mtp -68.61 -30.23 68.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.071 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -65.34 -46.67 79.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . 0.607 HD21 ' HA ' ' A' ' 935' ' ' ALA . 11.5 mt -62.96 -44.62 95.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.684 175.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 34.5 t -58.52 -36.46 73.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.864 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -74.25 -49.86 21.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . 0.809 ' HA ' ' ND2' ' A' 1026 ' ' ASN . 83.9 m -66.42 -42.79 87.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.758 -175.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.63 72.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.103 0.477 . . . . 0.0 110.658 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -72.01 -40.61 68.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.099 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . 0.809 ' ND2' ' HA ' ' A' 1023 ' ' CYS . 7.6 p30 -81.07 -33.83 33.14 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.593 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 67.4 tp -64.56 -41.79 96.09 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 175.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.51 -40.01 93.88 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.989 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 16.2 m -75.2 -32.82 61.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.98 0.419 . . . . 0.0 110.605 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -63.66 -45.05 91.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.247 0.546 . . . . 0.0 110.011 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.97 -30.13 67.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.673 177.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.54 -59.67 4.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.287 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.29 -35.47 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.077 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.95 -48.08 83.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.06 0.457 . . . . 0.0 110.432 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -63.27 -46.02 88.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.674 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 93.5 m -61.54 -44.43 97.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.996 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.85 82.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.976 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.79 92.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.207 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -64.79 -44.69 89.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.195 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.33 -45.12 85.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.602 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -62.42 -33.6 75.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.914 -177.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . 0.483 ' NE2' HE22 ' A' ' 991' ' ' GLN . 8.2 tt0 . . . . . 0 C--N 1.326 -0.455 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.057 -177.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 33.9 mt . . . . . 0 N--CA 1.452 -0.342 0 CA-C-O 120.98 0.419 . . . . 0.0 109.882 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . 0.416 ' HA ' HD12 ' A' ' 917' ' ' LEU . 27.2 m -69.99 -25.58 28.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.763 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -44.48 85.01 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 173.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . 0.783 ' HA ' ' CD2' ' A' ' 919' ' ' HIS . 15.0 mtp180 -67.86 -39.83 83.71 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.384 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . 0.572 ' HB3' HD22 ' A' ' 986' ' ' LEU . 75.6 mt -54.09 -43.68 70.56 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.406 0.442 . . . . 0.0 110.288 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 47.9 mt-10 -55.15 -58.34 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.813 176.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . 0.783 ' CD2' ' HA ' ' A' ' 916' ' ' ARG . 10.6 p80 -72.23 -24.52 61.39 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -173.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -80.11 -45.87 17.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.346 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.39 -36.22 82.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.493 0.187 . . . . 0.0 111.261 -178.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -60.75 -51.9 67.37 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.971 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -69.25 -33.28 73.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.686 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -63.15 -48.04 80.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . 0.553 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.78 -41.23 90.65 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.78 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 930' ' ' GLN . . . -65.14 -52.63 54.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.068 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 13.9 t -62.92 -37.49 87.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.687 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . 0.571 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -60.12 -44.78 94.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.614 177.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 57.6 m -57.15 -40.86 78.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.539 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 926' ' ' ALA . 17.7 mt-30 -68.87 -42.84 76.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.457 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 23.5 m -65.21 -39.32 92.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.464 -177.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 956' ' ' CYS . 83.5 mt -61.01 -50.97 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.921 0.391 . . . . 0.0 110.681 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.98 87.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.351 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . 0.509 ' HB1' ' HG3' ' A' 1019 ' ' GLN . . . -63.38 -48.89 76.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.907 177.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.682 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -59.1 -49.72 76.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.441 -177.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -67.26 -28.21 67.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.505 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 120.707 0.289 . . . . 0.0 111.139 -179.565 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 CA--C 1.519 -0.241 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 952' ' ' LEU . 30.6 mt -58.19 -58.38 8.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . 0.597 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 42.1 t -65.43 -26.87 40.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.938 0.399 . . . . 0.0 111.399 -174.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . 0.532 ' HA ' ' OE1' ' A' ' 954' ' ' GLN . 6.0 tp60 -79.58 -37.73 35.66 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.856 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . 0.481 ' HB2' ' HB2' ' A' 1000 ' ' MET . 30.3 p -78.17 -39.85 39.57 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.054 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 21.2 p -60.71 -41.62 95.62 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.237 -176.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -67.64 -36.46 80.8 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.705 0.288 . . . . 0.0 110.536 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -70.58 -51.95 24.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.582 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 963' ' ' ILE . 97.0 t -57.53 -40.24 73.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.883 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.17 66.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.827 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -83.64 -22.41 32.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.729 0.299 . . . . 0.0 111.191 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 958' ' ' ALA . 16.5 mm100 -83.47 -23.65 32.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.238 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.709 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 93.1 mt -56.32 -54.82 48.84 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.709 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 41.1 Cg_exo -58.28 -32.52 96.14 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.01 1.807 . . . . 0.0 112.24 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.16 -37.58 81.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.802 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 970' ' ' VAL . 78.8 mt -60.72 -56.23 23.79 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.283 174.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 52.2 t -61.82 -39.66 84.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.329 -175.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . 0.905 HE21 ' HA ' ' A' ' 968' ' ' GLN . 0.0 OUTLIER -64.49 -34.91 79.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.009 0.433 . . . . 0.0 110.047 175.75 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -67.47 -46.5 69.34 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.631 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 966' ' ' LEU . 42.3 t -58.38 -52.24 61.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.883 0.373 . . . . 0.0 110.359 177.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.45 -25.57 68.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.303 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -67.23 -44.13 87.13 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.721 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 20.5 t -72.77 -32.94 65.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.055 0.455 . . . . 0.0 110.172 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -68.16 -27.6 66.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -76.5 -41.08 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 110.634 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -133.79 95.55 17.32 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.05 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -69.19 -14.17 37.4 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.785 2.323 . . . . 0.0 112.149 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -120.59 74.77 1.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.442 0.639 . . . . 0.0 109.382 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 983' ' ' GLN . 33.5 t -159.33 108.56 1.52 Allowed Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.35 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.89 -35.71 98.62 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.568 2.178 . . . . 0.0 111.236 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 25.4 t -63.35 -44.55 94.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.368 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.31 94.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.83 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . 0.476 ' O ' HG13 ' A' ' 987' ' ' ILE . 40.0 mm-40 -65.95 -49.91 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.005 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.39 -24.98 65.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.702 -177.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -68.96 -45.9 69.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.838 0.351 . . . . 0.0 110.154 175.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . 0.572 HD22 ' HB3' ' A' ' 917' ' ' LEU . 2.4 tt -69.33 -46.94 65.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.783 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 983' ' ' GLN . 78.1 mt -56.49 -45.88 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.907 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -67.87 -42.05 81.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.98 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.78 85.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.822 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.588 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 36.2 m -60.22 -51.23 70.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.677 178.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . 0.639 ' HA ' HD12 ' A' ' 994' ' ' LEU . 68.7 mt-30 -64.9 -36.09 83.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.726 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 48.9 m -70.31 -18.5 63.1 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.3 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.571 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 88.4 t80 -93.42 -32.13 14.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.672 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 991' ' ' GLN . 81.8 mt -56.62 -43.89 80.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.497 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.599 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 54.5 tp60 -60.32 -60.75 9.61 Favored Pre-proline 0 CA--C 1.543 0.679 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.995 -175.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 59.4 Cg_endo -73.07 -30.08 11.14 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.624 1.549 . . . . 0.0 112.285 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.456 ' O ' HG23 ' A' 1001 ' ' VAL . . . -64.65 -45.27 93.38 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.697 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.43 -34.81 86.87 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.829 177.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 98.1 mttt -63.1 -41.44 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.598 0.237 . . . . 0.0 110.732 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . 0.481 ' HB2' ' HB2' ' A' ' 955' ' ' SER . 44.9 ttp -72.3 -33.48 67.42 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -177.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 997' ' ' GLY . 99.0 t -59.19 -49.62 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.999 0.428 . . . . 0.0 110.036 174.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.41 94.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.962 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.56 80.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.232 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' 1008 ' ' VAL . . . -61.22 -49.29 77.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.401 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.76 -28.99 69.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.941 0.401 . . . . 0.0 111.347 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -80.45 -15.11 57.56 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . 0.504 ' O ' HG13 ' A' 1011 ' ' ILE . 18.9 m -91.67 -21.15 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.67 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.46 ' N ' ' HD2' ' A' 1009 ' ' PRO . 48.6 t -54.56 -49.26 92.08 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' 1008 ' ' VAL . 56.0 Cg_endo -70.88 -15.45 32.89 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.896 1.731 . . . . 0.0 113.228 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 36.8 p -94.77 7.75 44.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.955 0.407 . . . . 0.0 111.14 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . 0.663 HG21 ' HB2' ' A' 1016 ' ' SER . 66.3 mt -111.09 128.33 67.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.828 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -85.99 -19.66 30.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.953 0.406 . . . . 0.0 110.524 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.27 118.21 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.239 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.55 -36.66 84.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.481 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.37 87.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.888 0.375 . . . . 0.0 111.184 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . 0.663 ' HB2' HG21 ' A' 1011 ' ' ILE . 29.0 m -68.65 -40.81 80.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.431 176.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -62.55 -47.96 81.56 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.156 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 25.2 ptt? -66.05 -32.32 73.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.567 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . 0.509 ' HG3' ' HB1' ' A' ' 934' ' ' ALA . 8.5 tp-100 -63.2 -46.66 85.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.447 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . 0.682 HD21 ' HA ' ' A' ' 935' ' ' ALA . 25.0 mt -68.11 -46.68 70.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.358 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 7.8 t -60.97 -35.49 76.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.845 0.355 . . . . 0.0 110.713 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -67.38 -60.02 2.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.806 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 58.5 m -62.73 -48.56 78.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.895 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.3 -32.31 73.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.208 -176.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -73.76 -39.31 64.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.993 0.425 . . . . 0.0 110.057 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -66.43 -44.53 82.62 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.641 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' 1031 ' ' LEU . 51.2 tp -60.04 -41.43 92.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.132 176.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -62.08 -44.11 98.21 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.455 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 18.3 m -70.36 -31.75 69.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.126 0.488 . . . . 0.0 110.624 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -64.88 -48.21 75.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.104 175.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . 0.594 HD22 HD23 ' A' ' 994' ' ' LEU . 97.3 mt -64.27 -33.37 75.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.619 177.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.48 -55.55 27.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.447 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.43 -28.95 46.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.892 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 58.2 tp -63.63 -47.75 80.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.905 0.384 . . . . 0.0 110.27 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -60.63 -47.46 86.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.722 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 23.0 m -63.01 -40.72 98.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.828 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -69.39 -47.15 65.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.175 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . 0.405 ' CA ' HD21 ' A' ' 917' ' ' LEU . . . -63.13 -33.75 76.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.072 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.41 -49.37 69.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.098 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.13 -40.62 90.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.116 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.93 83.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.066 0.46 . . . . 0.0 110.876 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 7.7 tt0 . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.783 178.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 916' ' ' ARG . 37.5 mt . . . . . 0 N--CA 1.457 -0.102 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . 0.488 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 12.3 m -72.22 -15.32 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.756 0.313 . . . . 0.0 111.426 -175.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -66.25 -43.73 85.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.941 0.401 . . . . 0.0 110.5 179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 913' ' ' LEU . 10.2 ptp180 -75.12 -20.99 59.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.906 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 62.4 tp -68.19 -46.65 70.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.011 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 47.1 mt-10 -56.25 -50.29 71.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.169 0.509 . . . . 0.0 110.043 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -59.09 -45.34 91.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.13 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -67.28 -41.88 84.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.459 -177.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.29 92.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.549 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 99.6 mttt -59.47 -52.03 67.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.789 0.328 . . . . 0.0 110.808 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -71.87 -27.96 63.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.343 -177.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . 0.546 ' HA ' ' HB1' ' A' 1030 ' ' ALA . . . -68.73 -48.39 63.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.843 0.354 . . . . 0.0 110.159 176.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . 0.595 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.63 -35.46 74.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.358 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -69.55 -58.5 3.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.353 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 18.9 p -59.49 -34.37 72.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.698 0.285 . . . . 0.0 111.228 -176.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . 0.566 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -59.5 -40.89 88.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 175.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 46.0 m -59.82 -49.37 77.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.492 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -60.94 -41.02 95.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.359 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 24.9 m -63.99 -42.68 97.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 0.0 110.408 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 956' ' ' CYS . 79.6 mt -60.75 -51.15 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.754 176.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.29 -26.0 66.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.469 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -83.42 -50.54 8.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.574 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -63.65 -57.6 9.54 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -172.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 13.1 pt20 -74.02 -10.51 59.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -173.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 121.002 0.43 . . . . 0.0 110.025 178.511 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 N--CA 1.462 0.167 0 N-CA-C 111.586 0.217 . . . . 0.0 111.586 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . 0.456 HD21 ' HA ' ' A' 1004 ' ' ALA . 58.2 mt -58.45 -57.41 13.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.922 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 79.7 t -55.89 -43.41 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.504 -176.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -63.62 -49.65 72.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.989 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 959' ' ' VAL . 20.3 m -65.74 -39.89 91.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.039 -178.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . 0.59 ' HB3' HG23 ' A' ' 932' ' ' ILE . 73.2 m -58.15 -47.53 83.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.808 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -67.09 -30.42 70.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.759 0.314 . . . . 0.0 110.395 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -70.24 -48.18 58.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.617 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 963' ' ' ILE . 92.5 t -61.67 -37.22 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.653 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.98 -22.91 64.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.694 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -83.32 -24.11 32.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.836 0.351 . . . . 0.0 111.124 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . 0.438 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 15.9 mm100 -88.4 -23.77 23.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.151 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.595 HG23 ' HB1' ' A' ' 925' ' ' ALA . 76.6 mt -55.72 -54.82 47.53 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.3 Cg_endo -59.25 -33.16 97.93 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.011 1.807 . . . . 0.0 112.0 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.93 -39.13 90.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.514 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 970' ' ' VAL . 82.0 mt -60.17 -59.95 4.6 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.021 175.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 40.6 t -61.1 -40.1 84.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.569 -174.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -60.6 -40.38 91.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.146 0.498 . . . . 0.0 109.718 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.94 -43.46 91.28 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.742 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 966' ' ' LEU . 25.0 t -59.77 -46.28 93.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.91 0.385 . . . . 0.0 110.537 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -67.44 -26.19 66.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.621 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -68.42 -38.12 86.58 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 173.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 42.4 t -68.59 -32.72 72.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 109.883 174.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 76.6 mt-30 -65.39 -32.63 74.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.37 175.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -73.42 -59.31 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.576 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -139.96 95.36 8.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.473 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.87 -17.37 29.0 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 122.552 2.168 . . . . 0.0 112.581 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -92.76 0.65 57.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.963 0.411 . . . . 0.0 110.399 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 29.6 t -92.67 119.24 68.04 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.437 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -61.42 -33.34 88.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.252 . . . . 0.0 111.848 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 32.8 m -62.1 -34.39 76.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -79.68 -42.59 24.41 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.614 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -65.76 -47.18 76.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.478 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 63.8 mt -60.65 -33.48 72.88 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.629 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.65 96.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.907 0.385 . . . . 0.0 110.482 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.97 -51.1 43.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.81 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' 1042 ' ' GLN . 88.3 mt -58.06 -52.44 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.465 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.03 96.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.049 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -62.68 -36.32 82.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.971 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.536 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 31.5 m -69.22 -44.37 72.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.997 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . 0.522 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.5 mt-30 -64.58 -40.04 94.83 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.258 0.551 . . . . 0.0 110.398 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 11.1 t -73.1 -14.27 61.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.343 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.566 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 83.1 t80 -88.41 -33.8 17.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.141 177.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 990' ' ' SER . 88.1 mt -56.12 -46.2 79.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.618 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.458 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.2 tp-100 -57.17 -60.18 10.44 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -176.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.764 ' HA ' ' HG2' ' A' ' 999' ' ' LYS . 55.8 Cg_endo -71.99 -29.5 14.9 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.348 1.365 . . . . 0.0 112.351 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' 1001 ' ' VAL . . . -63.25 -51.18 56.91 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.581 177.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -63.69 -36.69 93.66 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.683 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . 0.764 ' HG2' ' HA ' ' A' ' 996' ' ' PRO . 4.2 ptpp? -72.84 -21.12 61.0 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.801 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 56.2 ttp -83.02 -32.7 26.77 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 997' ' ' GLY . 96.3 t -59.32 -51.04 77.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.01 174.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.83 96.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.114 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -59.52 -44.03 93.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.56 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' 1008 ' ' VAL . . . -61.33 -47.51 85.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.931 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 97.5 mttt -57.76 -36.78 72.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.699 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -79.76 -23.06 42.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.501 -176.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . 0.496 ' O ' HG13 ' A' 1011 ' ' ILE . 69.7 m -85.05 -21.81 29.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.257 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' 1004 ' ' ALA . 78.5 t -51.84 -57.4 14.93 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . 0.518 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 59.3 Cg_endo -72.1 -13.17 28.57 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 121.963 1.775 . . . . 0.0 113.434 -176.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 22.8 p -91.88 -14.89 28.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.328 . . . . 0.0 111.598 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . 0.61 HG21 ' HB2' ' A' 1016 ' ' SER . 75.7 mt -84.42 141.24 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.306 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' 1012 ' ' GLN . 1.0 OUTLIER -84.42 -41.85 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -65.54 113.73 4.39 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.295 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.548 ' NE2' ' H ' ' A' 1014 ' ' GLN . 0.7 OUTLIER -65.86 -31.32 72.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.992 -175.286 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -67.82 -37.34 81.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.528 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . 0.61 ' HB2' HG21 ' A' 1011 ' ' ILE . 7.2 m -65.38 -43.66 90.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.894 177.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.477 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -64.28 -46.51 83.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.182 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . 0.446 ' HG3' ' O ' ' A' 1014 ' ' GLN . 67.2 mtt -60.72 -47.87 84.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -61.73 -44.32 97.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.813 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . 0.574 HD21 ' HA ' ' A' ' 935' ' ' ALA . 12.8 mt -59.99 -52.48 65.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.758 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 26.0 t -59.02 -38.19 78.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.876 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -70.67 -48.67 53.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.018 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 77.2 m -63.4 -44.99 93.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.213 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.14 -31.71 72.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.15 0.5 . . . . 0.0 110.86 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -66.46 -48.05 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.126 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -68.72 -39.05 80.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.941 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' 1031 ' ' LEU . 63.3 tp -64.11 -37.91 89.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.057 176.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -60.26 -46.88 93.46 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.277 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 5.6 m -68.86 -33.62 74.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.982 0.42 . . . . 0.0 110.568 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . 0.546 ' HB1' ' HA ' ' A' ' 924' ' ' ALA . . . -61.53 -43.54 98.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.076 176.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' 1027 ' ' LEU . 91.0 mt -67.94 -36.45 80.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.413 175.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.5 88.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.449 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.93 -55.46 19.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.217 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' 1034 ' ' LEU . 6.8 mt -50.8 -56.46 12.02 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.674 0.609 . . . . 0.0 112.119 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' 1035 ' ' ARG . 42.7 ttp180 -52.62 -48.33 66.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.625 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . 0.446 HG22 ' HE2' ' A' 1040 ' ' LYS . 27.6 m -71.26 -43.23 67.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.009 0.433 . . . . 0.0 111.168 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.93 61.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.192 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -65.78 -33.74 76.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.045 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -62.09 -53.44 55.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.729 0.3 . . . . 0.0 110.518 179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . 0.446 ' HE2' HG22 ' A' 1036 ' ' THR . 58.2 mtmt -69.55 -34.46 74.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.217 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -71.64 -31.14 66.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 111.189 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . 0.515 ' HA ' HD13 ' A' ' 987' ' ' ILE . 24.2 tm0? . . . . . 0 C--N 1.327 -0.389 0 CA-C-O 121.107 0.48 . . . . 0.0 110.154 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' 1041 ' ' ALA . 88.9 mt . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.859 0.361 . . . . 0.0 110.699 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 27.4 m -77.95 -25.05 14.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.664 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -63.48 -43.37 97.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 0.0 110.683 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . 0.4 ' HG3' ' HB1' ' A' 1037 ' ' ALA . 16.1 ptm180 -72.71 -24.66 61.03 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.158 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.92 -52.8 25.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.807 175.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -50.16 -54.98 17.04 Favored 'General case' 0 N--CA 1.462 0.151 0 O-C-N 123.361 0.413 . . . . 0.0 111.47 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -66.15 -32.63 74.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.98 -175.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -75.62 -43.64 46.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.911 0.386 . . . . 0.0 110.743 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.62 88.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.31 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -55.45 -53.88 50.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.083 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -67.97 -31.36 71.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.622 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.23 -50.33 66.24 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 176.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . 0.71 ' HB2' HD12 ' A' ' 966' ' ' LEU . . . -61.15 -41.6 97.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.748 178.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.58 -48.69 71.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.168 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 18.7 t -65.78 -34.53 78.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.333 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.31 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 174.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 49.0 m -59.3 -43.67 92.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.26 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -61.06 -45.82 93.18 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.577 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 23.7 m -64.03 -39.24 93.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.798 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.631 HG23 ' SG ' ' A' ' 956' ' ' CYS . 52.6 mt -59.76 -48.56 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.805 0.336 . . . . 0.0 110.575 176.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . 0.404 ' O ' ' HD2' ' A' ' 937' ' ' HIS . . . -60.07 -48.54 81.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.518 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.09 98.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.84 75.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.358 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -70.07 -25.11 63.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.473 -176.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . 0.404 ' HD2' ' O ' ' A' ' 933' ' ' ALA . 64.8 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 120.732 0.301 . . . . 0.0 111.393 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.465 ' HG ' ' HB2' ' A' 1003 ' ' ALA . 14.8 tp . . . . . 0 N--CA 1.468 0.44 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 28.8 mt -41.4 -45.42 3.1 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 44.6 t -58.32 -39.29 73.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.021 0.438 . . . . 0.0 111.366 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -77.45 -46.32 22.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.012 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 959' ' ' VAL . 11.9 m -61.08 -41.19 96.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.667 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . 0.631 ' SG ' HG23 ' A' ' 932' ' ' ILE . 36.3 t -55.56 -44.49 76.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.948 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.79 -44.19 86.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.636 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -62.46 -47.24 84.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.037 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 963' ' ' ILE . 89.6 t -64.03 -42.34 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -57.96 -28.29 64.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.45 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -82.0 -27.6 33.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . 0.901 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 84.2 mm-40 -88.36 -33.38 17.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.042 -175.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 959' ' ' VAL . 78.5 mt -48.11 -54.59 23.53 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 11.6 Cg_endo -56.02 -46.17 33.1 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.146 1.897 . . . . 0.0 112.344 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.92 -35.66 80.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.145 0.498 . . . . 0.0 110.344 -177.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 925' ' ' ALA . 2.1 tm? -67.47 -47.19 70.82 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.909 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 71.7 t -68.41 -39.63 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.101 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . 0.432 ' OE1' ' HA ' ' A' ' 968' ' ' GLN . 15.9 mm-40 -64.92 -27.29 68.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 110.183 175.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.5 -44.9 89.05 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 173.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 974' ' ' GLN . 38.6 t -59.49 -52.15 64.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.017 0.437 . . . . 0.0 110.327 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 971' ' ' ARG . 36.5 mtp85 -68.52 -24.09 64.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.191 -177.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.64 -40.67 98.86 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.511 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . 0.411 ' HB2' HD12 ' A' ' 986' ' ' LEU . 34.6 t -69.67 -25.49 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.295 0.569 . . . . 0.0 110.218 177.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 80.2 mt-30 -81.06 -34.54 32.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.462 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -77.03 -34.18 57.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.631 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -122.4 89.77 49.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.402 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.24 -60.87 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.611 2.874 . . . . 0.0 113.683 -172.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -120.5 71.91 0.94 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.604 0.716 . . . . 0.0 110.716 -175.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 980' ' ' PRO . 51.0 m -130.17 120.63 19.24 Favored Pre-proline 0 N--CA 1.443 -0.788 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.89 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 979' ' ' SER . 5.9 Cg_endo -49.71 -41.54 45.71 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.295 2.663 . . . . 0.0 112.303 178.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 10.7 p -59.08 -50.91 72.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.983 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.24 86.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.183 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 987' ' ' ILE . 1.9 mp0 -58.04 -51.14 70.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.961 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 37.6 tp -66.66 -29.29 69.27 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.058 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.63 97.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.38 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . 0.411 HD12 ' HB2' ' A' ' 973' ' ' SER . 3.1 tt -66.87 -45.32 78.44 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . 0.603 HG21 ' HB2' ' A' 1042 ' ' GLN . 81.5 mt -57.37 -49.89 78.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.816 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.59 98.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.07 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 966' ' ' LEU . . . -61.7 -41.23 97.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.861 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.669 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.2 m -58.63 -49.16 78.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.666 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . 0.732 ' HA ' HD12 ' A' ' 994' ' ' LEU . 65.6 mt-30 -68.55 -35.01 76.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.613 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 24.2 t -66.59 -22.87 66.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.532 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.509 ' CG ' ' HG ' ' A' ' 966' ' ' LEU . 45.9 t80 -88.4 -29.2 20.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.577 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 991' ' ' GLN . 69.0 mt -63.64 -41.96 98.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.622 -178.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.792 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.5 tp60 -57.26 -60.96 8.08 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.852 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.901 ' HG2' ' HG3' ' A' ' 962' ' ' GLN . 12.0 Cg_exo -70.45 -38.69 5.97 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 121.938 1.759 . . . . 0.0 111.878 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.522 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.42 -50.62 65.59 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.242 -178.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.66 -35.49 91.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.097 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -69.73 -32.69 71.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.475 0.179 . . . . 0.0 111.114 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 47.1 ttp -74.2 -31.32 62.6 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 997' ' ' GLY . 71.2 t -62.03 -50.64 79.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 172.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -58.52 -42.37 87.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.86 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . 0.465 ' HB2' ' HG ' ' A' ' 951' ' ' LEU . . . -63.09 -48.29 79.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.152 178.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' 1008 ' ' VAL . . . -58.63 -51.13 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.061 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.62 -29.35 70.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.599 -178.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -80.62 -24.72 38.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.992 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . 0.584 ' O ' HG13 ' A' 1011 ' ' ILE . 32.6 t -85.12 -23.95 28.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.566 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' 1004 ' ' ALA . 69.2 t -51.51 -53.74 46.74 Favored Pre-proline 0 CA--C 1.541 0.606 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . 0.404 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 58.8 Cg_endo -71.99 -14.66 29.31 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 121.762 1.641 . . . . 0.0 113.06 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 25.4 p -95.42 -1.0 51.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.949 0.404 . . . . 0.0 111.38 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' 1007 ' ' SER . 83.5 mt -90.61 135.88 25.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -76.54 -35.63 58.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.039 0.447 . . . . 0.0 110.554 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -83.9 108.79 17.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.354 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.1 -26.29 63.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.77 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' 1018 ' ' MET . . . -67.34 -38.54 85.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.251 0.548 . . . . 0.0 109.892 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 41.3 m -72.69 -34.36 67.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.361 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.547 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -63.95 -44.47 92.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.029 177.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' 1015 ' ' ALA . 26.6 ptm -68.85 -25.45 64.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.342 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -65.79 -46.46 78.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.105 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.69 -42.5 95.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.862 175.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 26.0 t -60.85 -43.27 98.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.88 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -60.23 -48.17 82.86 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.794 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 61.7 m -64.23 -47.58 79.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.014 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.26 83.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.421 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.83 -45.93 90.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.489 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -67.07 -52.6 40.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.793 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.12 -47.39 78.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.33 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.84 -40.04 96.21 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.766 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 22.0 m -75.79 -35.8 59.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.983 0.42 . . . . 0.0 110.559 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.7 -48.1 82.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.29 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 994' ' ' LEU . 94.6 mt -66.09 -32.06 73.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.575 177.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.44 74.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.127 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.35 -22.15 30.66 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.324 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 57.7 tp -66.63 -46.18 76.64 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 174.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -61.49 -40.15 93.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.296 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 47.2 m -63.8 -47.51 80.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.693 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . 0.4 ' HB1' ' HG3' ' A' ' 916' ' ' ARG . . . -65.1 -46.25 81.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.678 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.42 82.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.009 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 52.0 tp60 -62.79 -52.62 62.48 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 67.9 mttm -56.49 -46.35 80.53 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.5 0.5 . . . . 0.0 111.661 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . 0.575 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -66.31 -25.95 67.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.438 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . 0.603 ' HB2' HG21 ' A' ' 987' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.574 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.688 0.28 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 10.9 m -85.64 -35.4 9.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -57.17 -34.01 68.04 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.246 0.546 . . . . 0.0 110.612 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -65.78 -36.17 82.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.621 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.89 -53.94 13.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.42 ' OE1' HD13 ' A' ' 986' ' ' LEU . 0.3 OUTLIER -49.09 -42.56 39.37 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.489 0.493 . . . . 0.0 111.46 176.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -75.07 -40.33 60.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.577 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.72 81.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.671 0.272 . . . . 0.0 111.053 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.08 95.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.956 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -57.72 -54.13 50.34 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.167 0.508 . . . . 0.0 110.615 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -69.93 -34.67 73.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.132 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.08 92.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.852 0.358 . . . . 0.0 110.306 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.19 89.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.425 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.04 -52.75 54.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.114 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 56.6 m -61.5 -36.43 80.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.408 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . 0.444 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -62.35 -43.38 98.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.769 0.319 . . . . 0.0 110.25 175.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 36.3 m -60.83 -41.48 95.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.6 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -60.66 -46.17 91.35 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.056 0.455 . . . . 0.0 110.589 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 21.6 m -66.15 -38.79 88.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.096 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.89 -44.9 99.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 120.857 0.361 . . . . 0.0 110.827 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.38 -45.93 90.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.765 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -67.89 -42.09 81.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.003 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.542 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -56.24 -46.47 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.667 -178.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -65.16 -42.94 93.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.439 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 65.0 m80 . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.176 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . 0.412 HD13 ' HB1' ' A' ' 935' ' ' ALA . 68.3 mt -52.94 -32.12 43.98 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 122.909 0.484 . . . . 0.0 112.037 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 7.9 p -58.76 -42.73 86.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.338 0.589 . . . . 0.0 110.711 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -69.59 -46.52 66.14 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.366 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 959' ' ' VAL . 14.2 m -61.75 -42.87 99.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.079 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 34.5 t -53.21 -43.88 67.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.364 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.24 -39.7 95.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.003 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 961' ' ' GLU . . . -76.94 -32.16 57.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.226 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 963' ' ' ILE . 91.1 t -70.72 -44.89 76.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.009 0.433 . . . . 0.0 110.164 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -63.18 -22.32 66.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.305 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . 0.537 ' HG3' ' HG2' ' A' ' 962' ' ' GLN . 13.3 pt-20 -85.44 -22.81 28.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.729 0.3 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . 0.773 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 88.3 mm-40 -99.37 -21.09 16.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.746 -174.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 959' ' ' VAL . 70.3 mt -55.45 -52.65 69.95 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 176.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 16.6 Cg_endo -58.28 -36.63 97.51 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.001 1.801 . . . . 0.0 112.105 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.53 -36.65 84.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.918 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.596 ' O ' HG23 ' A' ' 970' ' ' VAL . 93.5 mt -57.29 -55.75 30.78 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.061 0.458 . . . . 0.0 109.894 173.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.17 -36.33 77.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.398 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 964' ' ' PRO . 15.3 mm100 -60.49 -40.74 92.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.177 0.513 . . . . 0.0 109.698 173.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.11 -47.83 81.34 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.578 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 966' ' ' LEU . 62.0 t -56.37 -49.74 75.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.473 0.178 . . . . 0.0 110.965 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -59.39 -36.77 76.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.664 0.269 . . . . 0.0 111.289 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -71.95 -43.76 48.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.927 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 69.4 m -69.66 -28.74 66.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.882 0.372 . . . . 0.0 111.468 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -77.1 -32.26 56.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -77.02 -43.09 35.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.575 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -126.68 84.1 63.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.31 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.48 -7.63 19.77 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.526 2.15 . . . . 0.0 111.134 173.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -82.36 -37.05 26.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.448 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 43.9 t -72.89 115.02 35.98 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.082 -174.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.415 ' O ' HD23 ' A' ' 984' ' ' LEU . 25.6 Cg_exo -62.63 -33.82 76.36 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.457 2.104 . . . . 0.0 110.818 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 30.6 m -67.96 -27.87 66.97 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.872 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -67.49 -55.75 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . 0.558 ' O ' HG13 ' A' ' 987' ' ' ILE . 5.4 mp0 -56.11 -49.53 73.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.17 176.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' A' ' 987' ' ' ILE . 3.7 mm? -56.71 -37.22 70.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.376 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.01 99.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.707 0.289 . . . . 0.0 110.641 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . 0.42 HD13 ' OE1' ' A' ' 918' ' ' GLU . 0.7 OUTLIER -68.81 -42.12 77.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 983' ' ' GLN . 78.7 mt -55.94 -48.26 78.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.371 176.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -64.09 -44.25 92.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.822 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.98 88.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.188 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.589 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 48.3 m -62.21 -46.56 88.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . 0.702 ' HA ' HD12 ' A' ' 994' ' ' LEU . 79.7 mt-30 -67.22 -34.66 77.96 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.224 0.535 . . . . 0.0 110.44 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 45.2 t -66.66 -24.15 66.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.417 176.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.444 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 87.5 t80 -90.65 -29.48 17.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.732 178.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 991' ' ' GLN . 91.2 mt -54.63 -45.1 73.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.63 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.861 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.4 tp-100 -59.29 -62.18 6.36 Favored Pre-proline 0 CA--C 1.544 0.733 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.163 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.861 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 32.3 Cg_exo -60.35 -41.06 52.93 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.348 2.032 . . . . 0.0 112.598 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.451 ' O ' HG23 ' A' 1001 ' ' VAL . . . -61.28 -47.75 89.2 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.045 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.58 -30.04 73.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.149 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . 0.576 ' HD2' ' HA ' ' A' ' 996' ' ' PRO . 65.8 mttm -61.76 -47.33 85.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.648 0.261 . . . . 0.0 110.371 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 47.5 ttp -71.63 -32.29 67.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.572 -175.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 997' ' ' GLY . 87.5 t -61.14 -48.78 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.96 0.41 . . . . 0.0 110.207 175.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.13 81.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.872 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.14 89.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.284 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' 1008 ' ' VAL . . . -61.57 -46.96 87.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 0.0 110.613 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.76 -24.79 67.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.166 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -90.92 -13.26 33.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.194 -178.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 31.9 t -102.38 2.39 36.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.055 0.455 . . . . 0.0 110.489 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.649 HG13 ' HB1' ' A' 1017 ' ' ALA . 78.4 t -71.06 -56.63 5.44 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.32 176.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' 1008 ' ' VAL . 35.5 Cg_endo -64.77 -20.45 64.88 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.132 1.888 . . . . 0.0 113.02 -176.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 34.7 p -77.65 -10.57 59.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.052 0.453 . . . . 0.0 111.041 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . 0.641 HG21 ' HB2' ' A' 1016 ' ' SER . 73.1 mt -95.16 111.72 26.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.142 0.496 . . . . 0.0 110.413 178.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . 0.56 ' NE2' ' H ' ' A' 1012 ' ' GLN . 0.9 OUTLIER -84.09 16.05 3.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.148 -178.7 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . 0.618 ' H ' HG22 ' A' 1011 ' ' ILE . 3.8 m-20 -96.48 -17.28 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.536 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 26.0 mp0 64.28 -56.77 0.24 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.761 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' 1018 ' ' MET . . . -64.29 -40.56 96.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.792 0.33 . . . . 0.0 111.388 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . 0.641 ' HB2' HG21 ' A' 1011 ' ' ILE . 16.5 m -68.33 -25.04 64.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.179 0.514 . . . . 0.0 110.261 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.649 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -77.95 -45.27 24.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.92 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' 1015 ' ' ALA . 0.0 OUTLIER -66.13 -27.24 67.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.033 0.444 . . . . 0.0 110.054 178.339 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.78 -41.15 96.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.915 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 935' ' ' ALA . 8.9 mt -66.45 -47.41 73.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.055 176.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 15.4 t -60.06 -40.38 89.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.704 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.29 -36.49 83.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.075 0.464 . . . . 0.0 110.875 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . 0.734 ' HA ' ' ND2' ' A' 1026 ' ' ASN . 81.2 m -75.68 -41.55 53.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.821 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.79 75.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.372 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -63.2 -57.95 8.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.929 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . 0.734 ' ND2' ' HA ' ' A' 1023 ' ' CYS . 5.9 p30 -66.85 -34.0 76.84 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.055 -174.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 64.2 tp -72.18 -37.91 69.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.815 0.34 . . . . 0.0 110.214 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -60.65 -46.24 94.82 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.129 -0.557 . . . . 0.0 112.038 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 17.4 m -71.19 -32.61 69.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.677 0.275 . . . . 0.0 110.532 177.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.22 82.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.972 0.415 . . . . 0.0 110.138 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.32 -34.9 79.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.47 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.8 -55.02 40.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.963 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -73.21 -30.85 63.8 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.937 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 64.0 tp -62.28 -51.05 69.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.996 0.427 . . . . 0.0 110.182 175.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -62.99 -41.1 99.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.564 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 33.4 m -63.63 -41.18 98.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.961 0.41 . . . . 0.0 110.55 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.75 -48.12 75.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.22 -37.9 87.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -48.95 79.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.093 0.473 . . . . 0.0 110.007 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -80.66 -6.09 57.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.967 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -87.7 -27.86 22.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.107 0.48 . . . . 0.0 110.109 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.113 177.748 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.587 HD13 ' HA ' ' A' 1041 ' ' ALA . 96.9 mt . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.78 0.324 . . . . 0.0 110.453 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . 0.451 HG11 ' HG3' ' A' ' 983' ' ' GLN . 34.1 m -74.33 -22.26 17.84 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.679 176.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -67.37 -40.29 85.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.977 0.418 . . . . 0.0 110.65 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . 0.525 ' HG3' ' HB1' ' A' 1037 ' ' ALA . 19.5 ptp180 -72.68 -25.48 61.27 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . 0.422 ' HB3' HD22 ' A' ' 986' ' ' LEU . 19.3 mt -72.62 -41.41 65.57 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.61 174.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.631 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 19.9 mm-40 -44.8 -66.03 0.45 Allowed 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 123.77 0.669 . . . . 0.0 111.296 178.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -56.61 -43.65 80.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.167 -176.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.98 93.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.301 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.71 82.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.291 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . 0.631 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 42.0 mttm -60.76 -42.65 97.86 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -63.29 -53.31 54.88 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.746 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . 0.442 ' HB1' ' CE2' ' A' ' 993' ' ' PHE . . . -51.61 -48.02 63.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.004 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.16 94.79 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.958 0.409 . . . . 0.0 111.102 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.68 -56.24 17.25 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.467 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 9.1 t -67.49 -32.54 73.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.916 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . 0.627 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.09 -45.16 95.84 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.799 0.333 . . . . 0.0 110.63 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 25.7 m -59.39 -39.7 84.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.186 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . 0.428 ' OE1' ' HA ' ' A' ' 930' ' ' GLN . 15.2 mm-40 -67.79 -44.52 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.114 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . 0.463 ' OG1' ' HB3' ' A' 1023 ' ' CYS . 21.1 m -63.43 -40.96 98.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 928' ' ' ALA . 75.9 mt -61.86 -44.77 99.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.74 0.305 . . . . 0.0 110.456 177.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.09 -45.39 93.1 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.133 0.492 . . . . 0.0 110.768 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.93 82.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.939 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.453 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -62.58 -49.98 73.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.581 -177.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' A' ' 936' ' ' GLN . 16.1 mm-40 -64.32 -28.94 70.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.738 -177.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 120.888 0.375 . . . . 0.0 111.184 179.457 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.812 HD12 ' HB2' ' A' 1003 ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.411 0.148 . . . . 0.0 111.149 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.75 -56.81 17.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.731 0.3 . . . . 0.0 111.074 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . 0.534 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 48.5 t -63.6 -38.55 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.229 -176.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.1 -50.16 71.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.51 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 17.6 m -69.5 -39.11 77.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.462 -177.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 17.2 p -63.16 -29.58 70.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.492 0.187 . . . . 0.0 111.05 -175.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 961' ' ' GLU . 54.8 mtmt -69.64 -42.98 73.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.753 0.311 . . . . 0.0 110.472 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.0 97.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.167 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 963' ' ' ILE . 94.9 t -64.87 -42.02 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.17 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.57 -23.85 64.98 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 66.0 mt-10 -82.96 -23.98 33.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.908 0.385 . . . . 0.0 110.631 178.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -91.42 -23.6 19.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.453 -173.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.704 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 70.9 mt -56.59 -54.42 53.77 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.704 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 23.9 Cg_exo -64.78 -26.48 60.19 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 121.907 1.738 . . . . 0.0 111.948 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 68.0 mt -70.0 -43.39 71.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.665 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.646 ' O ' HG23 ' A' ' 970' ' ' VAL . 83.8 mt -54.23 -58.62 6.67 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.348 175.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.57 -32.43 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.141 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -60.82 -45.71 93.39 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.19 -46.51 90.77 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.996 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 966' ' ' LEU . 41.8 t -54.94 -61.79 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.537 178.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.1 -31.39 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.587 -177.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -72.38 -39.35 57.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.226 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 28.5 m -69.58 -31.49 69.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.925 0.393 . . . . 0.0 110.533 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 84.0 mt-30 -64.56 -46.34 83.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.335 174.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.87 71.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.404 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . 0.455 ' HB3' ' HB2' ' A' ' 979' ' ' SER . 48.8 mt-30 -123.71 84.03 53.86 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.981 -178.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -78.54 -15.64 13.74 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.904 2.403 . . . . 0.0 112.301 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -98.43 -37.19 9.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.455 ' HB2' ' HB3' ' A' ' 976' ' ' GLN . 18.3 m -68.3 114.77 23.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 -176.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -57.51 -32.87 95.41 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.4 2.733 . . . . 0.0 113.436 -175.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 10.0 t -65.42 -29.28 69.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.755 0.312 . . . . 0.0 110.418 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -71.11 -43.81 66.9 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . 0.451 ' HG3' HG11 ' A' ' 914' ' ' VAL . 2.0 mp0 -59.63 -49.68 76.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.117 175.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.06 -30.89 69.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.011 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -64.07 -49.79 70.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.622 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 917' ' ' LEU . 0.6 OUTLIER -62.97 -49.37 74.98 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.004 0.43 . . . . 0.0 110.092 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 983' ' ' GLN . 72.5 mt -60.23 -51.36 73.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.415 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.11 96.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.345 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.97 89.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.719 0.295 . . . . 0.0 110.844 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.524 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 45.9 m -60.28 -50.21 74.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.691 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . 0.479 ' HA ' HD12 ' A' ' 994' ' ' LEU . 95.7 mt-30 -65.08 -41.13 95.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.136 0.493 . . . . 0.0 110.647 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 35.9 t -67.91 -13.56 62.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.025 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.627 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 80.3 t80 -96.23 -33.77 11.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.775 0.321 . . . . 0.0 110.59 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 990' ' ' SER . 94.5 mt -56.11 -51.01 69.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.022 -177.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.486 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 9.4 tp-100 -62.47 -56.34 31.14 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -174.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.486 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 55.5 Cg_endo -71.74 -33.91 9.68 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.725 1.617 . . . . 0.0 112.266 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.48 ' O ' HG23 ' A' 1001 ' ' VAL . . . -64.2 -40.49 98.05 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.787 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.49 -32.55 81.56 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.174 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.06 -32.55 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.942 -0.152 . . . . 0.0 110.817 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 46.5 ttp -76.83 -31.49 56.92 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 997' ' ' GLY . 59.6 t -63.83 -48.52 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.66 172.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.892 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . 0.812 ' HB2' HD12 ' A' ' 951' ' ' LEU . . . -61.62 -41.7 97.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.622 ' O ' HG23 ' A' 1008 ' ' VAL . . . -65.39 -46.54 79.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.684 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . 0.477 ' HE3' HG12 ' A' 1001 ' ' VAL . 98.6 mttt -60.56 -27.82 67.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.343 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -88.25 -24.78 23.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.715 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . 0.454 ' O ' HG13 ' A' 1011 ' ' ILE . 7.0 p -87.77 -31.53 19.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -177.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' 1004 ' ' ALA . 69.4 t -49.97 -54.64 30.72 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' 1008 ' ' VAL . 43.3 Cg_endo -68.4 -21.32 40.98 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.79 1.66 . . . . 0.0 113.031 -178.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 47.0 p -88.27 -18.7 28.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.701 0.286 . . . . 0.0 111.414 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' 1007 ' ' SER . 85.6 mt -90.69 119.8 38.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.073 0.463 . . . . 0.0 110.278 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -80.64 -15.87 55.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.131 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -78.45 107.84 11.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -67.71 -31.91 72.18 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.414 -173.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.6 93.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.038 0.447 . . . . 0.0 110.966 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 15.0 m -72.8 -46.31 53.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.56 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.72 -46.64 88.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.959 -176.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 90.1 mmm -70.1 -34.31 72.97 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.233 -0.187 . . . . 0.0 111.313 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -68.82 -38.26 79.74 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.505 -0.478 . . . . 0.0 109.776 177.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . 0.453 HD21 ' HA ' ' A' ' 935' ' ' ALA . 16.9 mt -61.42 -46.25 90.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.401 172.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 46.0 t -55.93 -45.16 78.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.577 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -60.59 -53.06 62.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.922 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . 0.463 ' HB3' ' OG1' ' A' ' 931' ' ' THR . 64.5 m -61.72 -48.98 78.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.135 -177.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.09 -29.04 70.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.872 0.367 . . . . 0.0 111.182 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -69.42 -52.4 27.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.23 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -67.33 -42.66 83.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.946 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' 1031 ' ' LEU . 51.7 tp -62.21 -41.69 98.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.703 0.287 . . . . 0.0 110.418 178.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.08 -47.49 90.53 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.082 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 8.1 m -69.86 -33.48 72.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.843 0.354 . . . . 0.0 110.734 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -63.53 -40.45 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.865 0.364 . . . . 0.0 110.061 177.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . 0.452 HD22 HD23 ' A' ' 994' ' ' LEU . 94.8 mt -65.57 -36.62 84.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.068 174.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.76 92.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.353 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -82.2 -16.46 49.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.213 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 52.2 tp -83.14 -47.78 11.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.893 0.378 . . . . 0.0 110.555 177.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . 0.469 ' HA ' HD11 ' A' ' 994' ' ' LEU . 38.4 ttp180 -55.19 -52.75 62.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.184 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . 0.48 ' O ' ' HG2' ' A' 1040 ' ' LYS . 7.0 m -62.94 -36.43 83.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.72 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . 0.525 ' HB1' ' HG3' ' A' ' 916' ' ' ARG . . . -67.61 -44.38 78.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.178 -178.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.8 76.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.58 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -62.43 -44.71 95.77 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.801 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' 1036 ' ' THR . 72.4 mmtt -60.29 -47.39 86.24 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.795 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . 0.587 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -62.89 -22.77 66.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.191 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 7.0 tt0 . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.333 -178.623 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.693 HD23 HH11 ' A' ' 916' ' ' ARG . 85.8 mt . . . . . 0 CA--C 1.523 -0.09 0 N-CA-C 111.78 0.289 . . . . 0.0 111.78 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . 0.465 HG12 ' NE2' ' A' ' 983' ' ' GLN . 13.5 m -78.76 -24.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.941 -178.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -49.35 37.46 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . 0.693 HH11 HD23 ' A' ' 913' ' ' LEU . 8.4 ptp85 -62.26 -29.11 70.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.167 175.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . 0.675 HD22 HD22 ' A' ' 986' ' ' LEU . 0.9 OUTLIER -66.49 -51.75 53.43 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.398 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.552 ' HB3' ' HE3' ' A' ' 922' ' ' LYS . 54.1 mt-10 -51.11 -49.7 60.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.734 176.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -56.26 -37.71 70.15 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.144 -177.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -80.52 -37.46 31.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.161 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.55 -42.31 92.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.446 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . 0.552 ' HE3' ' HB3' ' A' ' 918' ' ' GLU . 80.8 mttt -60.94 -47.67 85.33 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.51 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -71.16 -32.07 68.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.021 -176.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.38 -46.98 77.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.935 0.398 . . . . 0.0 110.014 176.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . 0.4 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.4 -43.82 92.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.62 177.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.85 -52.72 48.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.312 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 6.3 t -62.35 -38.0 87.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.978 -175.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . 0.548 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -60.84 -42.78 98.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.703 177.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 29.4 m -62.3 -37.09 84.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.539 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . 0.412 ' HA ' ' OE1' ' A' ' 930' ' ' GLN . 9.0 mm-40 -70.48 -38.24 74.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.357 178.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . 0.417 HG23 ' SG ' ' A' 1023 ' ' CYS . 26.8 m -65.12 -41.68 94.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.258 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.736 HG23 ' SG ' ' A' ' 956' ' ' CYS . 73.8 mt -57.84 -48.57 83.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.595 176.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -55.71 -49.12 73.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.045 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.55 94.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.96 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.69 94.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.764 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 92.0 mt-30 -70.3 -29.47 66.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.67 -177.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 . . . . . 0 C--N 1.326 -0.436 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -177.702 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.272 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . 0.449 ' HA ' ' HB1' ' A' 1003 ' ' ALA . 59.2 tp -63.97 -45.92 86.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.334 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.77 -44.87 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -58.96 -51.09 71.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 18.1 p -66.11 -36.6 83.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.73 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . 0.736 ' SG ' HG23 ' A' ' 932' ' ' ILE . 38.6 t -55.61 -48.71 74.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 176.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' A' ' 961' ' ' GLU . 99.1 mttt -71.49 -40.48 70.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.763 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -56.14 -48.33 76.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 963' ' ' ILE . 78.8 t -64.08 -41.74 93.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -58.24 -27.26 63.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.694 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 14.8 mm-40 -83.25 -26.47 30.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.131 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . 0.736 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 85.7 mm-40 -88.06 -26.49 22.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.331 -175.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.601 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 81.9 mt -52.67 -51.41 73.82 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.601 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 32.3 Cg_exo -57.89 -30.37 89.39 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.127 1.885 . . . . 0.0 112.591 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 67.8 mt -68.3 -38.79 82.0 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.544 0.211 . . . . 0.0 110.768 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.608 ' O ' HG23 ' A' ' 970' ' ' VAL . 82.2 mt -57.24 -60.82 3.05 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.064 0.459 . . . . 0.0 110.085 175.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . 0.65 ' O ' ' HG2' ' A' ' 971' ' ' ARG . 93.7 t -58.97 -41.2 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.308 -176.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.62 -41.58 86.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.018 0.437 . . . . 0.0 110.078 176.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -65.96 -43.99 92.56 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.76 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 966' ' ' LEU . 46.6 t -56.8 -60.12 2.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.831 0.348 . . . . 0.0 110.619 178.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 967' ' ' VAL . 10.8 ptp180 -63.85 -33.55 75.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.179 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -66.59 -38.51 93.37 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.137 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 92.6 p -74.1 -20.34 60.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.69 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 88.9 mt-30 -84.67 -31.83 23.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.476 176.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -66.16 -52.68 45.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.618 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -124.79 77.28 65.2 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.801 177.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -73.93 -14.42 23.88 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.413 2.075 . . . . 0.0 111.363 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.57 -16.53 61.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.962 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 45.7 t -102.68 117.56 60.51 Favored Pre-proline 0 N--CA 1.448 -0.563 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.409 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.474 ' O ' ' HG3' ' A' ' 983' ' ' GLN . 28.3 Cg_endo -64.27 -32.59 61.77 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.397 2.065 . . . . 0.0 112.123 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 6.3 p -68.28 -23.45 64.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.83 0.348 . . . . 0.0 110.901 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -73.73 -39.15 64.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.572 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 980' ' ' PRO . 0.0 OUTLIER -77.33 -28.79 53.27 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.463 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . 0.569 HD13 HD12 ' A' ' 987' ' ' ILE . 2.6 mm? -65.66 -33.68 76.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.058 173.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.85 -30.3 71.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.461 175.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . 0.675 HD22 HD22 ' A' ' 917' ' ' LEU . 0.5 OUTLIER -68.78 -49.57 57.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.496 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . 0.569 HD12 HD13 ' A' ' 984' ' ' LEU . 68.0 mt -57.77 -49.49 80.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.079 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -56.37 -48.2 77.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.073 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.05 96.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.052 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.599 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 46.1 m -59.97 -50.02 75.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . 0.732 ' HA ' HD12 ' A' ' 994' ' ' LEU . 76.5 mt-30 -69.04 -30.57 68.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 26.7 t -68.54 -26.8 65.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.197 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.548 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 88.5 t80 -86.57 -33.92 20.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.862 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 991' ' ' GLN . 89.8 mt -55.05 -42.09 72.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.613 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.819 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 49.0 tt0 -59.13 -62.13 6.45 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.994 -177.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.819 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 14.2 Cg_exo -70.23 -35.28 11.54 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.945 1.763 . . . . 0.0 111.978 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.66 -46.16 94.99 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.147 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -63.97 -29.24 74.29 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.24 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -73.58 -32.58 64.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.522 0.201 . . . . 0.0 111.009 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . 0.454 ' SD ' ' HA ' ' A' ' 956' ' ' CYS . 50.9 ttp -73.9 -30.21 62.48 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 997' ' ' GLY . 54.7 t -62.25 -46.9 95.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 173.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -63.92 -44.53 92.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.654 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . 0.449 ' HB1' ' HA ' ' A' ' 952' ' ' LEU . . . -61.52 -44.83 96.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.145 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.22 -48.22 82.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.944 0.402 . . . . 0.0 110.633 178.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -61.55 -33.47 73.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.153 178.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -79.92 -7.59 58.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.25 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . 0.653 ' O ' HG13 ' A' 1011 ' ' ILE . 21.4 m -97.94 -25.74 14.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.063 0.459 . . . . 0.0 110.121 178.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.705 HG13 ' HB1' ' A' 1017 ' ' ALA . 82.2 t -51.56 -54.29 40.87 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.897 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . 0.475 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 81.9 Cg_endo -76.75 -8.71 18.16 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 121.925 1.75 . . . . 0.0 113.942 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 16.0 p -99.62 -18.96 17.07 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.706 -177.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . 0.653 HG13 ' O ' ' A' 1007 ' ' SER . 76.7 mt -66.54 -32.04 56.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 120.941 0.401 . . . . 0.0 111.306 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 15.4 mm100 60.57 29.12 18.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . 0.507 ' HB3' HG22 ' A' 1011 ' ' ILE . 27.5 t70 -138.5 109.28 6.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.252 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -52.4 -45.26 65.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.039 -175.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.91 -55.18 38.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.514 -177.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . 0.501 ' HB2' HG21 ' A' 1011 ' ' ILE . 15.3 m -65.9 -35.65 81.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.889 0.376 . . . . 0.0 110.805 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.705 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -63.69 -47.45 81.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.091 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 24.8 mmt -67.01 -30.09 70.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -63.36 -48.74 76.7 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . 0.614 ' HA ' ' SG ' ' A' 1023 ' ' CYS . 13.9 mt -63.62 -39.88 95.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.147 177.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 42.4 t -59.24 -41.65 89.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.468 177.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.17 -48.95 69.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.365 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . 0.614 ' SG ' ' HA ' ' A' 1020 ' ' LEU . 25.8 p -66.01 -38.86 89.53 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.881 -177.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.41 72.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.933 0.397 . . . . 0.0 110.627 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -65.89 -49.94 66.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.909 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.16 -50.13 73.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.684 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.79 -38.46 88.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.811 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.71 -47.37 90.61 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.528 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.4 m -73.66 -33.25 64.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.911 0.386 . . . . 0.0 110.759 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.69 96.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.181 177.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . 0.476 HD22 HD23 ' A' ' 994' ' ' LEU . 96.1 mt -68.51 -33.93 75.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.605 176.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.3 -57.52 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.835 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.83 -20.08 50.51 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.979 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 67.7 tp -66.11 -48.1 71.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.292 0.568 . . . . 0.0 109.575 174.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -65.39 -23.53 66.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.543 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 39.6 m -83.61 -50.28 8.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.075 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -62.95 -47.06 84.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.443 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . 0.421 ' HB1' HG23 ' A' ' 987' ' ' ILE . . . -62.96 -34.7 78.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.589 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -65.97 -50.32 64.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.261 178.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -61.45 -35.14 76.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.42 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . 0.495 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -72.56 -33.47 66.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.362 -177.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 N--CA 1.455 -0.198 0 CA-C-O 120.825 0.345 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . 0.465 HG11 ' HG2' ' A' ' 983' ' ' GLN . 35.5 m -69.16 -27.18 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -62.58 -36.16 81.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.675 0.274 . . . . 0.0 110.661 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -67.29 -41.55 85.25 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . 0.444 ' CB ' HD13 ' A' ' 986' ' ' LEU . 73.6 mt -60.35 -49.25 78.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.566 177.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -55.91 -52.35 64.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.084 0.469 . . . . 0.0 110.174 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -55.02 -51.0 67.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.173 -178.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -71.0 -42.49 69.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.61 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.57 96.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -177.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -65.04 -41.62 95.02 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.101 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -79.24 -27.73 42.43 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.709 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.22 -47.96 66.45 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.32 80.66 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.591 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -66.14 -57.12 8.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.888 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 69.4 m -59.53 -36.31 75.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.472 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . 0.48 ' HB1' HG11 ' A' ' 959' ' ' VAL . . . -61.15 -52.21 65.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.805 178.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 17.7 m -60.17 -38.99 84.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.458 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -65.12 -41.43 94.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.054 177.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 28.2 m -67.2 -35.31 79.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.527 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.573 HG23 ' HB3' ' A' ' 956' ' ' CYS . 91.6 mt -61.82 -48.77 87.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.99 0.424 . . . . 0.0 110.197 175.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.54 95.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.582 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -66.15 -45.54 80.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.965 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.62 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -60.23 -34.06 73.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.394 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -97.38 9.12 43.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.628 -177.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 . . . . . 0 N--CA 1.463 0.224 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.183 178.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.655 HD12 ' HB2' ' A' 1003 ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.297 0 CA-C-O 120.715 0.293 . . . . 0.0 110.293 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 83.4 mt -53.04 -69.48 0.11 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.445 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . 0.531 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 21.0 m -59.23 -36.53 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -174.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -61.38 -41.28 96.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.848 0.356 . . . . 0.0 110.504 179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 959' ' ' VAL . 19.7 m -75.09 -41.04 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.376 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . 0.573 ' HB3' HG23 ' A' ' 932' ' ' ILE . 88.4 m -53.73 -46.28 70.79 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.398 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . 0.577 ' O ' ' HG2' ' A' ' 961' ' ' GLU . 8.6 mtmp? -62.63 -44.71 95.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.568 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.5 99.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.627 ' O ' HG13 ' A' ' 963' ' ' ILE . 93.1 t -63.73 -47.2 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.341 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . 0.422 ' HA ' HD12 ' A' ' 963' ' ' ILE . . . -59.35 -27.42 65.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.87 -177.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 22.6 mm-40 -73.44 -34.17 65.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 111.108 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . 0.43 ' HA ' ' OE1' ' A' ' 962' ' ' GLN . 14.3 mm-40 -90.67 -20.84 22.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.097 -173.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' ' 959' ' ' VAL . 85.1 mt -55.35 -55.3 41.3 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 16.1 Cg_endo -58.46 -30.57 91.95 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.386 2.058 . . . . 0.0 112.517 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 78.2 mt -77.48 -37.09 52.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.0 0.429 . . . . 0.0 110.386 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.541 ' O ' HG23 ' A' ' 970' ' ' VAL . 46.4 tp -62.61 -50.63 70.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.649 176.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . 0.449 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 98.5 t -64.61 -34.25 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.838 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . 0.438 ' OE1' ' HA ' ' A' ' 968' ' ' GLN . 6.8 tp60 -61.11 -45.53 94.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 176.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -58.27 -40.42 93.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.564 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 966' ' ' LEU . 60.1 t -61.61 -45.49 98.55 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-O 120.63 0.252 . . . . 0.0 110.505 176.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . 0.453 ' HA ' HE21 ' A' ' 974' ' ' GLN . 19.3 mtp180 -56.74 -50.17 73.03 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.327 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -61.55 -32.73 82.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.005 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 50.4 m -78.5 -33.35 48.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.702 0.287 . . . . 0.0 111.183 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 50.0 mt-30 -63.3 -32.63 74.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.128 0.49 . . . . 0.0 109.941 174.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -81.45 -53.05 6.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.628 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -124.88 90.32 51.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.169 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.45 -25.39 13.12 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 122.55 2.167 . . . . 0.0 112.162 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -87.39 -5.01 59.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.545 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 33.4 t -75.07 122.0 86.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.078 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.43 -34.91 97.3 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.032 2.488 . . . . 0.0 111.672 174.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 13.1 t -67.42 -41.88 84.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.226 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -68.96 -44.66 72.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.644 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . 0.465 ' HG2' HG11 ' A' ' 914' ' ' VAL . 60.4 mt-30 -56.08 -51.55 67.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.436 175.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.75 -40.53 92.8 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.764 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -57.96 -49.22 77.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . 0.444 HD13 ' CB ' ' A' ' 917' ' ' LEU . 19.6 mt -56.22 -58.34 8.36 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.006 176.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' 1042 ' ' GLN . 61.7 mt -57.12 -46.6 84.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.566 -175.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -67.64 -48.76 65.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.275 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.87 -34.04 75.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.95 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.688 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 69.3 m -61.65 -49.27 77.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.622 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . 0.59 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.7 mt-30 -66.12 -37.04 84.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.049 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 50.7 m -75.88 -5.96 48.53 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.943 0.402 . . . . 0.0 111.214 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -102.4 -33.51 9.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.02 0.438 . . . . 0.0 110.012 177.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 990' ' ' SER . 73.3 mt -58.34 -42.97 88.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.398 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.845 HE21 ' HA ' ' A' ' 995' ' ' GLN . 0.0 OUTLIER -62.19 -59.27 13.52 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.553 -177.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.827 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 37.1 Cg_exo -61.37 -38.83 61.5 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.944 1.763 . . . . 0.0 111.958 177.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.65 -49.39 79.14 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.961 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.27 -34.81 86.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.207 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . 0.461 ' HE2' ' HG3' ' A' ' 995' ' ' GLN . 67.8 mttm -60.19 -44.15 95.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.316 . . . . 0.0 110.695 176.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 49.3 ttp -74.69 -31.7 61.97 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.52 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 997' ' ' GLY . 96.6 t -60.71 -49.18 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.1 85.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.704 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . 0.655 ' HB2' HD12 ' A' ' 951' ' ' LEU . . . -59.06 -45.05 91.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.185 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.65 -51.27 70.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.725 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.18 -32.92 71.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.415 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -78.88 -23.76 44.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . 0.515 ' O ' HG13 ' A' 1011 ' ' ILE . 23.1 t -86.54 -27.78 23.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.974 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' 1004 ' ' ALA . 69.7 t -47.47 -52.07 39.38 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.55 -14.36 27.59 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 121.761 1.64 . . . . 0.0 113.206 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 34.2 p -97.76 4.09 49.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.837 0.351 . . . . 0.0 111.698 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . 0.574 HD11 HD12 ' A' 1020 ' ' LEU . 67.8 mt -88.87 132.1 34.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.848 0.356 . . . . 0.0 110.085 177.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -64.64 -31.69 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.573 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . 0.458 ' H ' HG22 ' A' 1011 ' ' ILE . 26.7 t70 -102.14 124.82 48.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.96 0.409 . . . . 0.0 110.768 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.62 -38.28 86.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.78 -176.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.16 82.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.63 0.252 . . . . 0.0 111.209 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . 0.568 ' O ' ' HB3' ' A' 1019 ' ' GLN . 6.8 p -69.62 -25.92 64.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.824 0.345 . . . . 0.0 110.941 177.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.564 ' HA ' HD12 ' A' 1011 ' ' ILE . . . -66.54 -41.32 88.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.294 0.569 . . . . 0.0 110.403 174.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 93.7 mmm -70.92 -19.9 62.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.624 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . 0.568 ' HB3' ' O ' ' A' 1016 ' ' SER . 7.4 tt0 -63.09 -49.04 76.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.059 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' ' 935' ' ' ALA . 15.4 mt -64.76 -40.44 95.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.684 176.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 20.1 m -58.29 -43.78 88.2 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.968 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.7 -47.21 79.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.052 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 65.6 m -64.83 -44.57 89.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.098 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.39 -29.08 70.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.987 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -68.9 -47.71 65.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.977 0.417 . . . . 0.0 110.258 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -67.62 -44.04 78.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.794 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.36 -42.67 96.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.405 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.62 98.76 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.359 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 18.1 m -75.06 -31.57 61.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.003 0.43 . . . . 0.0 110.472 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -63.35 -47.05 83.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.086 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . 0.448 HD22 HD23 ' A' ' 994' ' ' LEU . 96.6 mt -65.05 -34.84 79.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.338 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.04 -47.38 81.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.748 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -63.4 -54.61 34.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.99 0.424 . . . . 0.0 110.471 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . 0.448 ' HG ' ' HB3' ' A' ' 990' ' ' SER . 22.9 tp -55.54 -47.71 75.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.575 -174.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -63.76 -43.36 96.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.056 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 26.9 m -69.76 -41.22 75.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.794 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -65.11 -44.85 87.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.952 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -66.5 -31.93 72.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.85 -46.09 89.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.969 0.414 . . . . 0.0 110.054 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.48 -45.08 76.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.963 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -70.2 -30.23 67.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.011 -175.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . 0.412 ' HA ' HD13 ' A' ' 987' ' ' ILE . 7.7 tt0 . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 121.111 0.481 . . . . 0.0 111.044 -178.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' A' 1041 ' ' ALA . 92.1 mt . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.912 0.387 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . 0.468 HG11 ' HG2' ' A' ' 983' ' ' GLN . 29.1 m -74.46 -33.61 33.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.329 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -63.52 -36.01 82.37 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.153 0.501 . . . . 0.0 109.972 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -61.28 -48.57 80.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.603 174.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . 0.429 ' CB ' HD13 ' A' ' 986' ' ' LEU . 83.5 mt -57.79 -47.37 82.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.694 177.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 52.4 mt-10 -50.88 -58.54 5.74 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.515 0.509 . . . . 0.0 110.95 177.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -66.89 -41.13 87.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.638 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -68.59 -44.67 73.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.31 -177.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -61.94 -33.65 74.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.372 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 97.4 mttt -60.11 -51.54 69.17 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.779 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -78.69 -29.68 45.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.107 -177.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.23 85.4 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.87 88.49 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.547 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -69.57 -51.8 32.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.045 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 23.3 t -61.54 -35.25 77.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.789 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . 0.596 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -59.84 -46.3 89.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 175.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 57.1 m -58.28 -40.85 83.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.586 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -65.61 -44.42 86.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.717 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 12.2 m -65.94 -42.09 90.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.716 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 928' ' ' ALA . 70.8 mt -63.22 -42.97 98.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.259 177.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -58.41 -43.23 88.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.485 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.8 81.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.704 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.21 97.44 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -176.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -64.42 -28.69 69.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.932 0.396 . . . . 0.0 110.823 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 . . . . . 0 C--N 1.326 -0.448 0 CA-C-O 121.049 0.452 . . . . 0.0 110.356 178.675 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.662 ' HG ' ' HB2' ' A' 1003 ' ' ALA . 11.8 tp . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . 0.592 HD21 ' HA ' ' A' 1004 ' ' ALA . 81.6 mt -49.19 -65.48 0.56 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.437 176.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 42.6 t -52.14 -39.75 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.489 -177.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -60.33 -53.48 57.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.885 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . 0.481 ' O ' HG23 ' A' ' 959' ' ' VAL . 35.7 m -69.77 -36.37 75.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.26 -177.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 98.2 m -58.76 -35.44 72.76 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.605 0.24 . . . . 0.0 111.159 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 68.1 mttm -62.56 -47.13 85.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.771 177.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.52 -46.16 73.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.005 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 963' ' ' ILE . 93.8 t -61.05 -43.69 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.327 -178.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -61.72 -26.34 67.99 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -80.39 -25.92 38.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 110.564 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -86.61 -26.03 24.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.471 -176.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 959' ' ' VAL . 77.0 mt -53.4 -55.7 31.98 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 21.5 Cg_endo -61.86 -28.91 81.89 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 122.053 1.835 . . . . 0.0 112.209 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 68.5 mt -69.32 -40.38 77.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 970' ' ' VAL . 78.8 mt -56.57 -59.0 5.64 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.121 0.486 . . . . 0.0 110.06 174.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . 0.598 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 57.3 t -61.6 -35.72 68.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.37 -176.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.49 -42.85 88.5 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.103 0.478 . . . . 0.0 109.83 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -67.47 -38.4 90.78 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.97 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 966' ' ' LEU . 41.2 t -62.18 -38.55 81.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 120.938 0.399 . . . . 0.0 110.881 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' A' ' 967' ' ' VAL . 23.1 mtm180 -64.94 -34.17 77.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.689 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -77.28 -43.15 16.97 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.29 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 2.8 p -66.01 -36.98 84.75 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.24 -21.39 66.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.687 0.279 . . . . 0.0 111.245 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -92.61 -52.03 4.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.04 0.448 . . . . 0.0 110.514 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -130.87 94.91 27.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.63 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.35 -4.35 14.16 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.273 1.982 . . . . 0.0 112.129 176.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.41 -1.69 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.725 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 980' ' ' PRO . 49.8 p -92.71 128.73 42.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.378 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 979' ' ' SER . 34.0 Cg_exo -57.65 -32.77 95.41 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.572 2.182 . . . . 0.0 111.935 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 18.5 m -60.94 -47.78 84.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.862 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -70.96 -37.0 72.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.816 0.341 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . 0.468 ' HG2' HG11 ' A' ' 914' ' ' VAL . 59.9 mt-30 -61.1 -55.42 32.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.5 177.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 984' ' ' LEU . 4.4 mm? -63.97 -31.38 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.033 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.56 83.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.844 0.355 . . . . 0.0 110.43 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . 0.429 HD13 ' CB ' ' A' ' 917' ' ' LEU . 35.4 mt -75.27 -57.03 4.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 175.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . . . . . . . . . 86.8 mt -52.14 -52.62 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.139 -174.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.64 75.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.171 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.55 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.246 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.679 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 48.8 m -64.5 -43.75 93.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . 0.475 ' HA ' HD12 ' A' ' 994' ' ' LEU . 77.7 mt-30 -65.85 -39.08 90.44 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.068 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 45.0 p -76.84 -5.95 50.39 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.831 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.596 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 89.5 t80 -99.85 -38.67 8.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.153 177.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.679 ' HG ' ' O ' ' A' ' 990' ' ' SER . 81.2 mt -54.34 -48.45 71.4 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.724 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.515 ' HG2' ' HE2' ' A' ' 999' ' ' LYS . 32.9 tt0 -63.14 -60.25 10.11 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.162 -174.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.408 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 35.8 Cg_endo -64.91 -32.42 54.85 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 121.721 1.614 . . . . 0.0 112.086 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.25 -47.51 89.21 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 177.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.87 -35.77 92.47 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.031 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . 0.515 ' HE2' ' HG2' ' A' ' 995' ' ' GLN . 68.7 mttm -58.21 -45.47 87.6 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 174.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 46.7 ttp -70.91 -30.55 66.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.972 -177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 997' ' ' GLY . 94.4 t -62.16 -46.05 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.217 0.532 . . . . 0.0 109.782 173.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.51 86.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.35 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . 0.662 ' HB2' ' HG ' ' A' ' 951' ' ' LEU . . . -57.98 -45.93 85.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.015 177.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.592 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -56.2 -56.71 17.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.989 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -60.88 -35.69 77.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.931 -177.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -78.6 -18.0 55.23 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -176.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . . . . . . . . . 36.1 m -94.03 -24.61 17.55 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.241 -0.184 . . . . 0.0 111.325 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.692 HG13 ' HB1' ' A' 1017 ' ' ALA . 70.3 t -49.19 -51.82 53.55 Favored Pre-proline 0 CA--C 1.543 0.694 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' 1008 ' ' VAL . 18.8 Cg_endo -58.83 -21.23 56.01 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.385 2.057 . . . . 0.0 113.834 -176.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 31.6 p -90.45 -5.8 55.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.041 0.448 . . . . 0.0 111.03 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . . . . . . . . . 51.9 mt -96.13 121.89 47.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.784 -179.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . 0.437 ' HA ' ' OE1' ' A' 1012 ' ' GLN . 7.8 mm-40 -84.87 -23.11 29.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.96 0.41 . . . . 0.0 110.301 -176.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -72.59 113.61 9.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.834 174.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.504 ' O ' ' HG3' ' A' 1018 ' ' MET . 43.1 mt-30 -60.62 -49.36 77.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.3 -175.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -55.71 -52.7 62.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.121 -174.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 15.8 m -65.93 -37.07 85.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.654 0.264 . . . . 0.0 111.123 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.692 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -65.31 -44.27 88.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 110.779 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . 0.504 ' HG3' ' O ' ' A' 1014 ' ' GLN . 66.4 mtt -63.84 -47.66 79.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.467 178.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -60.7 -44.53 96.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.753 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 62.3 tp -56.9 -47.86 79.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.014 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 47.5 t -67.5 -38.1 83.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.841 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . 0.414 ' HA ' ' OE1' ' A' 1022 ' ' GLN . 6.8 tp60 -66.13 -49.42 67.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 -177.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 72.5 m -62.18 -38.12 87.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.792 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.59 86.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -64.82 -40.48 95.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 110.645 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -64.81 -47.18 78.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.176 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' A' 1031 ' ' LEU . 57.2 tp -61.57 -44.92 96.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.846 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.0 -39.51 94.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.539 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.7 m -77.27 -32.5 55.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.922 0.391 . . . . 0.0 110.653 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.52 96.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.255 0.55 . . . . 0.0 110.066 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . 0.537 HD22 ' HA ' ' A' ' 994' ' ' LEU . 84.4 mt -65.51 -35.28 80.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.533 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.44 -48.45 71.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.456 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -81.99 -34.71 29.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.562 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.06 -42.1 99.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.008 0.432 . . . . 0.0 110.364 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . 0.513 ' HA ' HD11 ' A' ' 994' ' ' LEU . 44.0 ttm180 -58.96 -50.98 72.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.843 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 18.2 m -60.82 -34.38 74.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.103 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -73.0 -53.89 10.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.177 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.06 82.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.872 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -62.48 -49.82 73.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.916 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 56.9 mtmt -77.31 -26.95 52.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.311 -177.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . 0.518 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -68.77 -25.99 64.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.025 0.44 . . . . 0.0 110.974 178.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 58.6 tt0 . . . . . 0 C--N 1.326 -0.456 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.753 -178.838 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.612 HD13 ' HA ' ' A' 1041 ' ' ALA . 84.0 mt . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 120.698 0.285 . . . . 0.0 111.356 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . 0.418 HG11 ' HG2' ' A' ' 983' ' ' GLN . 27.8 m -74.44 -27.23 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.941 0.401 . . . . 0.0 111.142 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -66.63 -39.17 88.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.084 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 77.2 mtt85 -56.74 -46.17 81.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.735 173.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . 0.523 ' HB3' HD22 ' A' ' 986' ' ' LEU . 86.1 mt -61.11 -50.11 74.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.299 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -48.48 -52.4 22.55 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.174 0.512 . . . . 0.0 111.7 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -77.26 -39.35 48.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.584 -173.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -68.4 -40.26 81.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.583 0.23 . . . . 0.0 111.256 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.56 -40.2 88.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.489 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -65.93 -40.57 91.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.615 0.245 . . . . 0.0 111.431 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -76.78 -33.18 58.05 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.591 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.61 82.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 110.189 175.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.53 -41.84 86.41 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.448 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 930' ' ' GLN . . . -64.8 -56.0 16.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.188 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 72.2 m -58.5 -36.98 74.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.508 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . 0.548 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.86 -47.36 85.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 110.294 176.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 27.1 m -62.69 -35.85 81.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.406 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 926' ' ' ALA . 54.7 mt-30 -63.87 -43.8 95.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 176.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 5.0 m -65.88 -41.53 91.46 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.255 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.485 HG23 ' SG ' ' A' ' 956' ' ' CYS . 62.6 mt -59.24 -41.79 85.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.142 176.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -68.99 -5.42 21.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.83 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -107.96 -39.71 5.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.165 0.507 . . . . 0.0 109.807 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -60.28 -54.17 48.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.02 -177.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 4.0 pt20 -92.72 12.07 24.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.959 0.409 . . . . 0.0 111.137 -176.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 14.9 t60 . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.967 177.817 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.6 ' O ' ' HB1' ' A' 1003 ' ' ALA . 4.4 mm? . . . . . 0 C--O 1.227 -0.107 0 CA-C-O 121.251 0.548 . . . . 0.0 109.977 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . 0.482 HD21 ' HA ' ' A' 1004 ' ' ALA . 18.5 mt -152.6 -63.07 0.16 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.232 175.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . 0.474 HG12 ' NZ ' ' A' ' 957' ' ' LYS . 47.7 t -63.06 -34.56 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.638 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -64.73 -59.28 4.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.826 178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 959' ' ' VAL . 13.9 m -63.74 -28.32 69.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.794 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . 0.485 ' SG ' HG23 ' A' ' 932' ' ' ILE . 10.6 t -54.51 -44.51 72.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 175.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 961' ' ' GLU . 63.5 mttp -59.4 -47.41 85.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.85 99.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.976 0.417 . . . . 0.0 110.94 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 963' ' ' ILE . 91.9 t -68.14 -47.44 78.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.283 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -64.48 -21.63 66.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 53.2 mm-40 -86.86 -15.76 38.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.925 0.393 . . . . 0.0 110.909 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . 0.63 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 85.1 mm-40 -94.84 -23.34 17.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.665 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.5 ' N ' ' HD2' ' A' ' 964' ' ' PRO . 78.1 mt -55.58 -52.38 72.42 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.405 179.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 13.2 Cg_endo -56.86 -30.66 86.28 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.234 1.956 . . . . 0.0 112.492 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.22 -39.72 86.3 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.647 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 970' ' ' VAL . 97.1 mt -57.96 -57.58 12.19 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.163 0.506 . . . . 0.0 109.879 175.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.0 -37.6 78.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.167 -176.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.06 -43.79 98.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -61.61 -44.85 97.41 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.906 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 966' ' ' LEU . 24.5 t -56.93 -49.06 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 120.967 0.413 . . . . 0.0 110.249 177.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -60.13 -41.93 93.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.851 178.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.38 -43.72 98.36 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.351 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 23.0 t -72.73 -17.03 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 0.0 111.188 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -90.33 -37.67 13.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.69 0.281 . . . . 0.0 110.809 176.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -70.53 -36.88 73.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.176 0.512 . . . . 0.0 110.22 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -123.89 87.93 52.64 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.783 175.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.99 -25.03 66.76 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.846 2.364 . . . . 0.0 112.341 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -127.89 80.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.335 0.588 . . . . 0.0 109.447 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 39.2 t -152.29 119.45 3.15 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.997 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.54 -28.94 83.8 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.623 2.215 . . . . 0.0 111.535 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 27.9 m -64.51 -47.58 78.36 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.09 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.5 91.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.349 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . 0.434 ' O ' HG13 ' A' ' 987' ' ' ILE . 54.2 mt-30 -57.62 -61.94 2.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.032 177.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.64 -33.0 72.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.473 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -61.02 -49.14 78.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 110.622 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 917' ' ' LEU . 1.1 tt -66.0 -45.17 82.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.802 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 983' ' ' GLN . 87.5 mt -58.07 -51.18 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.944 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.49 93.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.026 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.91 92.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.998 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.684 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.1 m -60.44 -48.29 82.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.38 178.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . 0.687 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.2 mt-30 -66.04 -37.09 84.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 20.6 t -66.14 -27.72 68.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.464 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.548 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 83.4 t80 -83.29 -31.22 27.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.638 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 991' ' ' GLN . 94.4 mt -55.25 -44.9 75.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.6 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.843 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 7.2 tp60 -60.19 -62.43 5.94 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.827 -176.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.843 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 23.2 Cg_exo -65.04 -40.99 18.22 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.003 1.802 . . . . 0.0 112.135 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.44 -46.64 93.97 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.068 -179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.91 -35.73 90.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.446 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -69.8 -33.29 72.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.637 0.256 . . . . 0.0 110.792 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 9.8 tmm? -77.32 -25.48 51.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 997' ' ' GLY . 88.1 t -59.23 -45.46 92.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 172.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -70.02 -42.77 72.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.482 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . 0.6 ' HB1' ' O ' ' A' ' 951' ' ' LEU . . . -58.62 -40.84 84.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.219 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.482 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -65.56 -46.38 79.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.071 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . 0.512 ' HE2' HG12 ' A' 1001 ' ' VAL . 67.3 mttm -56.9 -44.78 82.71 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.96 0.409 . . . . 0.0 111.373 -179.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -69.63 -20.97 63.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.752 -176.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . 0.421 ' O ' HG13 ' A' 1011 ' ' ILE . 19.4 m -92.02 -16.04 27.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.453 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' 1004 ' ' ALA . 97.0 t -55.74 -53.17 65.73 Favored Pre-proline 0 CA--C 1.541 0.615 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . 0.441 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 61.2 Cg_endo -73.59 -14.03 24.77 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.948 1.765 . . . . 0.0 113.564 -177.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 20.3 p -90.39 -21.11 22.12 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.26 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . 0.43 HD12 HD12 ' A' 1020 ' ' LEU . 79.8 mt -82.28 127.36 39.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -79.34 -28.04 42.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.37 107.43 3.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.146 176.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -60.88 -45.75 93.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.458 -174.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.85 82.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.768 0.318 . . . . 0.0 110.968 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 29.2 m -72.79 -39.36 66.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.75 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -63.09 -48.23 79.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.051 0.453 . . . . 0.0 110.589 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 26.5 mmt -62.18 -37.82 86.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.378 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.62 -41.61 97.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.62 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' 1020 ' ' LEU . 10.5 mt -59.68 -54.28 48.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.401 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 22.1 t -62.22 -39.66 93.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.754 0.312 . . . . 0.0 110.545 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . 0.431 ' OE1' ' HE3' ' A' 1025 ' ' LYS . 7.7 tp60 -57.85 -48.67 79.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.604 178.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 62.4 m -72.87 -45.12 60.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.162 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.52 -43.04 93.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.972 -177.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . 0.431 ' HE3' ' OE1' ' A' 1022 ' ' GLN . 18.8 pttp -67.09 -35.09 79.04 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.538 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.36 -40.75 70.44 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.354 -0.385 . . . . 0.0 109.989 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' 1031 ' ' LEU . 48.5 tp -59.64 -38.06 80.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.868 176.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.25 -47.75 89.29 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.566 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 4.3 m -71.26 -34.69 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.995 0.426 . . . . 0.0 110.472 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -59.66 -47.98 83.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.165 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . 0.485 HD22 HD23 ' A' ' 994' ' ' LEU . 96.7 mt -65.7 -34.57 78.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.717 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.83 -56.9 15.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.209 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.59 -29.86 59.42 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.37 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.66 -46.97 87.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.917 0.389 . . . . 0.0 109.994 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -61.88 -43.76 98.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.194 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . 0.558 HG22 ' HE2' ' A' 1040 ' ' LYS . 27.6 m -63.78 -43.64 95.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.82 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -63.5 -48.37 77.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.051 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . 0.428 ' HA ' HD21 ' A' ' 917' ' ' LEU . . . -63.19 -33.38 75.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.737 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . 0.9 HE21 ' HA ' ' A' 1039 ' ' GLN . 0.0 OUTLIER -67.97 -41.32 82.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.476 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . 0.558 ' HE2' HG22 ' A' 1036 ' ' THR . 68.0 mttm -65.89 -47.05 76.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.947 0.403 . . . . 0.0 110.858 178.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . 0.612 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -68.13 -21.29 64.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.703 -176.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.02 -176.567 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.449 -0.476 0 CA-C-O 120.865 0.364 . . . . 0.0 110.164 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . 0.563 HG11 ' HG2' ' A' ' 983' ' ' GLN . 27.1 m -77.4 -21.06 14.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.979 177.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -57.59 -37.4 73.14 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.362 0.601 . . . . 0.0 109.85 171.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -68.56 -43.19 77.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.773 175.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . 0.533 HD12 HG12 ' A' ' 914' ' ' VAL . 87.1 mt -60.02 -42.13 93.7 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.324 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 94.4 mt-10 -54.49 -45.6 73.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.057 0.456 . . . . 0.0 110.93 178.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -69.47 -50.53 44.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -62.86 -40.19 96.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.6 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.36 87.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.514 0.197 . . . . 0.0 111.409 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -66.53 -40.27 89.05 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.971 -0.291 . . . . 0.0 111.163 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -75.43 -30.18 59.95 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.462 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.31 -47.07 68.56 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 175.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -59.14 -41.01 87.27 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.392 176.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.34 -56.38 16.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.946 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 46.6 m -59.13 -37.86 78.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.9 -178.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . 0.539 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -60.25 -51.19 70.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.46 176.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 27.1 m -58.1 -43.79 87.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.628 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' ' 930' ' ' GLN . 12.4 mm-40 -64.03 -41.28 97.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.928 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 31.3 m -67.25 -37.15 83.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.775 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.503 ' O ' ' HG3' ' A' ' 936' ' ' GLN . 71.9 mt -61.43 -50.5 80.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.796 0.331 . . . . 0.0 110.27 176.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.73 87.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.878 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -67.66 -41.91 83.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.721 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.715 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -61.16 -43.62 98.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.132 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 92.3 mt-30 -61.08 -41.17 96.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.048 0.451 . . . . 0.0 110.35 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 76.0 t60 . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.171 -179.511 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.527 ' HA ' ' OE1' ' A' ' 954' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.076 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . 0.715 ' HB3' ' HB1' ' A' ' 935' ' ' ALA . 89.2 mt -48.07 -55.4 10.28 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.486 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 39.5 t -55.89 -38.9 54.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.773 -175.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . 0.527 ' OE1' ' HA ' ' A' ' 951' ' ' LEU . 46.7 mt-30 -55.68 -49.93 71.63 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.314 0.578 . . . . 0.0 110.382 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 959' ' ' VAL . 16.7 m -67.9 -41.58 82.47 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.741 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 70.8 m -58.38 -36.47 73.57 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.562 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 9.0 mtpm? -65.76 -39.43 91.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.773 0.32 . . . . 0.0 110.905 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -72.48 -42.73 64.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.19 0.519 . . . . 0.0 110.625 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 963' ' ' ILE . 86.4 t -59.21 -42.17 86.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.597 177.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.9 -22.28 64.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.9 -178.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -75.87 -29.57 58.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 110.797 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . 0.441 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 14.5 mm100 -98.7 -18.74 17.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -174.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 959' ' ' VAL . 73.6 mt -55.45 -55.04 44.39 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.8 Cg_endo -60.51 -29.84 89.47 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.882 1.721 . . . . 0.0 112.073 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.85 -37.8 79.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 970' ' ' VAL . 85.4 mt -59.65 -57.77 11.47 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.138 0.494 . . . . 0.0 109.868 174.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 33.4 t -63.13 -35.58 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.969 -176.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.36 -42.8 96.51 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -63.19 -42.32 99.42 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.759 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 966' ' ' LEU . 16.6 t -60.66 -44.08 96.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 120.981 0.42 . . . . 0.0 109.945 177.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 971' ' ' ARG . 42.6 mtm-85 -71.13 -8.48 53.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.999 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -89.44 -47.91 3.9 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 27.9 t -63.95 -37.58 87.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 110.371 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -87.8 10.15 19.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.068 0.461 . . . . 0.0 111.226 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -111.58 -44.03 3.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 172.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -132.53 85.42 48.1 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.998 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -70.08 -18.31 35.57 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.164 2.576 . . . . 0.0 112.876 -176.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -90.34 -19.14 24.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.986 0.422 . . . . 0.0 110.504 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 34.0 t -72.07 123.78 89.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.55 -19.07 37.58 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.635 2.224 . . . . 0.0 111.417 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 33.4 t -65.38 -33.59 76.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.828 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -67.23 -32.4 73.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.596 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . 0.563 ' HG2' HG11 ' A' ' 914' ' ' VAL . 79.9 mt-30 -60.97 -63.66 1.22 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.598 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . 0.402 ' HA ' HD13 ' A' ' 984' ' ' LEU . 3.9 mm? -61.44 -29.35 69.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -177.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.67 76.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.777 0.322 . . . . 0.0 110.192 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 16.5 mt -68.86 -50.05 53.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.102 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . 0.485 HG21 ' HG2' ' A' 1042 ' ' GLN . 81.2 mt -54.72 -53.02 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.606 -176.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.58 89.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.233 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.52 94.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.736 0.303 . . . . 0.0 110.497 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.701 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 41.5 m -64.2 -49.4 72.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.546 178.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . 0.62 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.4 mt-30 -60.26 -43.76 95.88 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.195 0.521 . . . . 0.0 110.828 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 17.6 t -73.01 -10.97 60.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.872 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.539 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 85.8 t80 -94.36 -31.24 14.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.913 0.387 . . . . 0.0 110.181 176.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 990' ' ' SER . 78.7 mt -56.76 -43.31 80.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.442 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.518 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 29.4 tt0 -63.05 -62.43 5.65 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.78 -177.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.518 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 35.5 Cg_endo -65.39 -33.98 45.47 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.751 1.634 . . . . 0.0 112.148 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.52 -47.27 90.6 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.718 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.7 -31.97 79.9 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.166 -0.54 . . . . 0.0 111.958 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.22 -33.0 74.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.635 0.255 . . . . 0.0 110.887 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 47.0 ttp -78.71 -33.25 46.94 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.09 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 997' ' ' GLY . 58.0 t -62.76 -46.74 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 174.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.85 -48.18 81.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.429 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.69 83.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.04 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' 1008 ' ' VAL . . . -62.96 -52.25 63.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.756 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.72 -27.52 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.41 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -85.96 -19.87 29.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.537 -178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . 0.645 ' O ' HG13 ' A' 1011 ' ' ILE . 50.4 m -86.94 -25.76 24.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.661 0.267 . . . . 0.0 110.533 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.675 HG13 ' HB1' ' A' 1017 ' ' ALA . 85.0 t -52.45 -51.81 69.3 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' 1008 ' ' VAL . 41.7 Cg_endo -67.01 -22.24 48.29 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 121.963 1.775 . . . . 0.0 112.722 -175.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 74.9 p -95.17 3.0 55.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.25 0.548 . . . . 0.0 110.683 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . 0.645 HG13 ' O ' ' A' 1007 ' ' SER . 77.0 mt -93.93 121.28 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 170.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -95.82 7.45 46.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.216 0.532 . . . . 0.0 110.706 -175.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . 0.485 ' H ' HG22 ' A' 1011 ' ' ILE . 24.0 t70 -105.45 117.98 35.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.349 170.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' 1018 ' ' MET . 25.2 tp60 -57.85 -46.63 84.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.752 -174.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -63.67 -44.48 93.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.86 -175.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 19.6 m -65.17 -39.54 93.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.863 0.363 . . . . 0.0 110.766 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.675 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -65.85 -40.44 91.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.251 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' 1014 ' ' GLN . 83.1 mtp -67.66 -28.88 68.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -64.68 -42.97 94.98 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 935' ' ' ALA . 13.8 mt -64.02 -47.29 80.84 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 176.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 34.6 t -57.22 -43.47 82.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.764 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -51.34 69.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 56.1 m -67.66 -46.22 73.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.281 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.08 96.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.092 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 20.7 pttp -65.62 -35.29 80.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.867 0.365 . . . . 0.0 110.607 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -76.01 -41.38 51.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.524 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' 1031 ' ' LEU . 65.1 tp -60.71 -45.07 95.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.231 175.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.54 -41.82 97.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.376 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 8.8 m -72.23 -36.5 69.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.996 0.427 . . . . 0.0 110.321 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -58.76 -44.07 90.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.928 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' 1027 ' ' LEU . 99.1 mt -65.61 -37.95 88.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.578 176.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -55.66 -56.2 23.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.636 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.98 -31.05 64.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.13 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 65.7 tp -63.93 -49.54 72.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.983 0.42 . . . . 0.0 110.306 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -56.19 -48.42 76.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.107 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 19.1 m -63.04 -42.88 99.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.29 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -69.13 -41.28 77.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.058 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.73 95.94 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.795 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -59.89 -46.34 89.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.53 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -64.25 -41.85 96.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.744 -177.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -68.14 -28.5 67.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.217 0.532 . . . . 0.0 110.53 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . 0.485 ' HG2' HG21 ' A' ' 987' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.257 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' 1040 ' ' LYS . 95.8 mt . . . . . 0 CA--C 1.521 -0.144 0 CA-C-O 120.554 0.216 . . . . 0.0 111.567 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . 0.652 HG11 ' HG3' ' A' ' 983' ' ' GLN . 15.9 m -69.77 -26.63 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.837 0.351 . . . . 0.0 110.996 -176.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -72.57 -36.4 68.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.092 178.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -69.66 -34.96 74.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.565 174.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.6 -44.03 97.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.264 176.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -54.9 -52.69 62.09 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.042 0.448 . . . . 0.0 110.721 174.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -60.01 -32.88 71.29 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.806 -177.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -75.87 -43.27 46.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.748 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.73 99.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.919 0.39 . . . . 0.0 111.183 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.98 -45.8 90.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.046 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -73.65 -31.04 63.29 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.483 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.69 -46.65 78.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 176.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.53 88.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.451 176.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 930' ' ' GLN . . . -62.93 -52.8 61.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.465 178.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 34.7 m -64.34 -32.74 74.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.061 -177.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . 0.61 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -64.86 -41.12 95.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.251 175.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 32.6 m -59.94 -42.87 94.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.248 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 926' ' ' ALA . 79.6 mt-30 -58.97 -45.8 89.66 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.328 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 19.9 m -68.86 -39.49 79.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.288 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 928' ' ' ALA . 63.6 mt -64.47 -43.7 96.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 177.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.79 -35.7 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.117 0.484 . . . . 0.0 110.569 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -73.65 -43.36 59.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.588 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -58.74 -45.79 88.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.313 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -63.61 -27.61 69.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.237 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 . . . . . 0 C--N 1.322 -0.62 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.617 -174.879 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 951' ' ' LEU . 4.3 mm? . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 111.97 0.359 . . . . 0.0 111.97 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . 0.472 HD21 ' CA ' ' A' 1004 ' ' ALA . 25.7 mt -56.02 -43.77 78.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.358 -178.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . 0.695 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 90.4 t -63.46 -29.04 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.829 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -72.02 -51.63 20.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.465 0.65 . . . . 0.0 109.87 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . 0.435 ' O ' HG23 ' A' ' 959' ' ' VAL . 15.1 m -62.2 -44.01 97.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.613 -177.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . 0.695 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 20.8 p -63.39 -26.34 68.7 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -176.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 953' ' ' VAL . 39.2 mmtm -63.46 -49.49 73.44 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.797 0.332 . . . . 0.0 110.409 175.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.94 75.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.919 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 963' ' ' ILE . 87.1 t -62.95 -40.11 87.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 178.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -64.73 -14.18 57.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.623 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 36.1 mt-10 -88.99 -34.04 16.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.1 0.476 . . . . 0.0 110.198 176.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . 0.424 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 86.8 mm-40 -85.65 -27.09 25.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.129 -174.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.71 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 80.6 mt -55.53 -53.98 56.34 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 177.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.71 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 31.7 Cg_exo -59.94 -31.22 93.35 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.966 1.777 . . . . 0.0 112.167 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 73.8 mt -68.57 -41.78 79.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.737 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 970' ' ' VAL . 46.1 mt -54.62 -59.95 4.01 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.075 0.464 . . . . 0.0 110.248 173.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 49.6 t -62.01 -32.55 54.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.271 -176.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -61.59 -43.79 98.21 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 174.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.82 -43.15 92.3 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.922 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 966' ' ' LEU . 39.4 t -57.71 -51.13 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 CA-C-O 120.973 0.416 . . . . 0.0 110.164 178.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -66.02 -26.41 67.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.67 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.92 -41.96 99.77 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.527 174.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 28.7 t -71.97 -21.97 61.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.347 0.594 . . . . 0.0 109.888 176.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 974' ' ' GLN . 16.2 mm-40 -86.15 -2.39 58.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.648 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -116.0 -39.76 3.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.634 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 979' ' ' SER . 45.1 mt-30 -136.44 68.4 60.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.426 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.54 -33.06 57.92 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.545 2.164 . . . . 0.0 113.053 -174.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -83.68 -17.8 40.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.89 0.376 . . . . 0.0 110.633 -177.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.432 ' HA ' ' HD2' ' A' ' 980' ' ' PRO . 21.1 m -82.13 124.89 78.28 Favored Pre-proline 0 N--CA 1.443 -0.791 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.797 -177.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 979' ' ' SER . 17.8 Cg_endo -58.51 -20.15 47.98 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.983 2.455 . . . . 0.0 112.327 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 2.1 m -57.9 -43.84 86.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.684 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.96 97.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.589 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . 0.652 ' HG3' HG11 ' A' ' 914' ' ' VAL . 2.0 mp0 -61.55 -51.31 69.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.666 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.17 -40.28 81.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.054 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.18 -50.32 70.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.766 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 8.6 mt -58.51 -53.05 62.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.502 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . 0.611 HD13 ' HA ' ' A' 1042 ' ' GLN . 75.0 mt -56.79 -47.06 83.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.927 -177.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -63.99 -51.58 63.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.129 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.23 93.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.374 -177.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.591 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 41.3 m -61.48 -49.39 76.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.213 -179.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . 0.767 ' HA ' HD12 ' A' ' 994' ' ' LEU . 77.1 mt-30 -67.52 -35.38 79.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.04 0.447 . . . . 0.0 110.685 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 32.5 t -66.25 -36.26 82.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.463 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.61 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 91.7 t80 -71.33 -32.71 68.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.0 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 991' ' ' GLN . 74.7 mt -58.41 -32.75 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.208 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.709 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 61.7 tt0 -60.19 -63.4 4.31 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.917 -176.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 72.1 Cg_endo -78.21 -28.3 4.84 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.484 1.456 . . . . 0.0 112.207 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.46 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.93 -49.88 68.54 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.159 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -63.44 -34.11 89.06 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.165 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 67.0 mttm -72.17 -31.81 66.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.443 0.163 . . . . 0.0 110.721 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 52.8 ttp -71.71 -33.92 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 997' ' ' GLY . 60.9 t -62.75 -45.32 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 173.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -60.89 -49.05 79.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.768 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -61.18 -42.25 98.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.801 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.16 -53.74 54.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.775 179.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.46 -36.54 78.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -74.56 -28.63 61.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.552 -177.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . 0.486 ' O ' HG13 ' A' 1011 ' ' ILE . 56.7 p -81.62 -22.01 37.92 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.153 -0.219 . . . . 0.0 111.529 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.731 HG13 ' HB1' ' A' 1017 ' ' ALA . 75.9 t -50.44 -56.6 17.35 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . 0.519 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 73.2 Cg_endo -75.83 -4.86 15.75 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.03 1.82 . . . . 0.0 113.541 -177.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 26.6 p -101.41 -14.41 17.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.885 0.374 . . . . 0.0 111.355 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' 1007 ' ' SER . 66.9 mt -85.15 131.22 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.035 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -70.85 -32.65 69.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.905 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 21.3 t70 -79.12 107.55 11.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.481 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.47 -35.68 81.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.455 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.51 83.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.952 0.406 . . . . 0.0 110.756 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 20.3 m -65.4 -35.62 81.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.783 178.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.731 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -62.78 -45.58 92.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.483 177.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . . . . . . . . . 26.4 mmt -66.14 -37.7 86.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.639 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -60.1 -43.61 95.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.314 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.83 -44.01 94.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.033 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 29.6 t -59.59 -28.22 66.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.782 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -78.95 -53.11 7.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 60.2 m -62.27 -47.32 84.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.441 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . 0.405 ' HB1' HG13 ' A' 1001 ' ' VAL . . . -64.7 -27.23 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.201 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -70.83 -43.98 67.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.955 0.407 . . . . 0.0 109.953 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -64.72 -52.39 57.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.137 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . 0.451 ' O ' ' HG ' ' A' 1031 ' ' LEU . 58.9 tp -60.49 -46.48 89.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.132 -178.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.27 -44.37 96.55 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.822 -178.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.0 m -75.08 -32.68 61.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.85 0.357 . . . . 0.0 110.557 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.96 96.39 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . 0.555 HD22 HD23 ' A' ' 994' ' ' LEU . 95.9 mt -64.74 -32.84 74.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.808 176.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.34 -54.02 51.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.086 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.39 -28.0 46.89 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.871 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 65.4 tp -61.11 -50.16 74.38 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 120.891 0.376 . . . . 0.0 110.155 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -59.38 -41.18 88.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.526 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 24.4 m -68.56 -45.59 71.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -69.1 -37.25 78.31 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.099 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' 1042 ' ' GLN . . . -64.38 -35.97 82.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 178.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -74.13 -37.47 64.06 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . 0.477 ' HB3' HD22 ' A' ' 913' ' ' LEU . 46.9 mttm -56.19 -57.74 10.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.858 175.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -65.1 -21.33 66.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.272 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . 0.611 ' HA ' HD13 ' A' ' 987' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.114 -177.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 97.1 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.616 0.246 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . 0.458 HG12 ' HG2' ' A' ' 983' ' ' GLN . 22.8 m -79.45 -34.42 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.334 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -62.61 -43.11 99.64 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.8 0.333 . . . . 0.0 111.054 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -67.09 -34.43 77.63 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.167 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . 0.808 ' HB3' HD13 ' A' ' 986' ' ' LEU . 9.6 mt -62.26 -48.75 78.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.804 177.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 69.2 mt-10 -52.1 -46.12 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.26 0.553 . . . . 0.0 111.199 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -79.98 -36.76 35.55 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.429 -174.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . 0.444 ' HA ' ' HG2' ' A' ' 923' ' ' GLN . . . -69.36 -37.25 77.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . 0.467 ' HB3' HG22 ' A' ' 970' ' ' VAL . . . -66.66 -40.76 88.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.928 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 7.5 mtmp? -68.61 -37.67 79.97 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.272 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . 0.444 ' HG2' ' HA ' ' A' ' 920' ' ' ALA . 10.8 pt20 -72.68 -33.67 66.69 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.05 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -66.0 -48.5 71.0 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.62 -43.36 89.62 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.876 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.05 -52.65 61.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.317 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . 0.538 ' O ' ' HG2' ' A' ' 930' ' ' GLN . 50.9 m -62.4 -37.83 87.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.935 -178.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . 0.481 ' O ' HG13 ' A' ' 932' ' ' ILE . . . -61.41 -44.83 96.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.847 0.356 . . . . 0.0 110.452 177.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 86.1 m -55.8 -48.79 74.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.517 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 927' ' ' SER . 19.4 pt20 -69.63 -36.89 76.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.655 -176.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 30.4 m -63.54 -40.93 98.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.741 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.56 HG23 ' HB3' ' A' ' 956' ' ' CYS . 67.2 mt -59.08 -45.92 92.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.76 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.99 95.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.965 0.412 . . . . 0.0 110.869 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . 0.47 ' HB1' ' HG3' ' A' 1019 ' ' GLN . . . -66.07 -40.39 90.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.221 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.752 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -60.91 -40.65 93.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.363 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 69.7 mt-30 -64.15 -43.65 94.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.391 . . . . 0.0 110.504 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 86.0 t60 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.586 179.781 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.699 0.285 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . 0.752 ' HB3' ' HB1' ' A' ' 935' ' ' ALA . 91.6 mt -52.25 -64.16 0.91 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.47 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . 0.52 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 35.2 m -59.82 -33.98 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-O 120.966 0.412 . . . . 0.0 111.731 -176.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -65.47 -46.88 78.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.326 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . 0.448 ' O ' HG23 ' A' ' 959' ' ' VAL . 31.2 p -65.96 -36.1 82.39 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.758 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . 0.56 ' HB3' HG23 ' A' ' 932' ' ' ILE . 72.9 m -59.74 -35.36 74.41 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.76 0.314 . . . . 0.0 111.346 178.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 62.0 mttp -61.55 -46.46 89.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.802 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -69.17 -42.45 75.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.881 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 963' ' ' ILE . 85.8 t -59.37 -43.36 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.53 -24.53 65.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.896 -177.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -76.39 -30.28 57.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.791 0.329 . . . . 0.0 110.966 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.06 -21.93 18.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.951 -173.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 959' ' ' VAL . 74.4 mt -51.85 -54.23 42.56 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 18.1 Cg_endo -59.43 -24.86 76.49 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.236 1.957 . . . . 0.0 113.025 -178.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 39.4 mt -71.09 -38.12 72.42 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.576 0.227 . . . . 0.0 110.709 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 970' ' ' VAL . 84.4 mt -58.37 -55.88 29.29 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.257 0.551 . . . . 0.0 109.691 175.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . 0.422 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 26.8 t -61.68 -35.61 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.867 -176.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -57.35 -49.31 76.55 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 110.147 173.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -61.93 -41.94 99.7 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.022 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 966' ' ' LEU . 42.1 t -54.65 -55.27 16.27 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 120.865 0.364 . . . . 0.0 110.687 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 971' ' ' ARG . 19.2 mtm180 -61.48 -33.03 73.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.084 -177.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -68.45 -43.57 77.32 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.018 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . 0.599 ' HA ' ' HB1' ' A' ' 982' ' ' ALA . 36.8 t -66.63 -39.12 88.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.571 0.224 . . . . 0.0 111.019 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 19.0 mt-30 -59.6 -38.7 81.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.943 0.401 . . . . 0.0 110.583 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -76.24 -34.0 59.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.99 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -126.36 95.57 38.26 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.836 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.74 -21.75 69.68 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 C-N-CA 123.293 2.662 . . . . 0.0 113.469 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -149.44 83.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.095 0.474 . . . . 0.0 110.196 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 51.9 m -147.38 137.01 11.96 Favored Pre-proline 0 N--CA 1.444 -0.761 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.901 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.18 -47.39 27.01 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.102 2.535 . . . . 0.0 112.501 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 70.4 m -62.75 -35.1 78.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.715 0.293 . . . . 0.0 111.608 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . 0.599 ' HB1' ' HA ' ' A' ' 973' ' ' SER . . . -71.91 -48.81 42.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.119 0.485 . . . . 0.0 110.587 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . 0.458 ' HG2' HG12 ' A' ' 914' ' ' VAL . 76.9 mt-30 -66.17 -45.41 80.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.394 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.85 -39.54 89.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.116 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.48 95.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.79 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . 0.808 HD13 ' HB3' ' A' ' 917' ' ' LEU . 10.2 mt -72.03 -55.71 6.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.576 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . . . . . . . . . 82.6 mt -56.92 -50.74 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.489 -174.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.02 91.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.113 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -66.91 -44.01 81.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.659 -177.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.667 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.7 m -58.21 -50.55 73.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.113 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . 0.775 ' HA ' HD12 ' A' ' 994' ' ' LEU . 95.4 mt-30 -66.14 -33.58 76.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.029 0.443 . . . . 0.0 110.821 -178.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 64.9 m -70.79 -26.17 63.2 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.023 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.554 ' HE2' HD21 ' A' 1031 ' ' LEU . 74.4 t80 -82.15 -33.48 29.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.948 0.404 . . . . 0.0 110.38 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 991' ' ' GLN . 79.2 mt -57.9 -40.11 79.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.921 -178.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.558 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 16.6 tp60 -64.49 -58.54 13.3 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.989 -174.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 54.0 Cg_endo -71.82 -31.75 12.46 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 121.836 1.691 . . . . 0.0 112.159 177.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.97 -44.45 97.37 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.817 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.17 -28.72 71.18 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.09 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -66.84 -39.22 87.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.456 0.17 . . . . 0.0 110.728 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 48.7 ttp -73.28 -33.49 65.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.012 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 997' ' ' GLY . 56.4 t -62.59 -48.86 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.981 174.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -64.02 -42.44 97.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.987 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.48 93.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.84 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' 1008 ' ' VAL . . . -60.55 -53.38 58.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.03 -29.69 71.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.968 0.414 . . . . 0.0 111.593 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -81.75 -21.84 37.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.397 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . 0.41 ' O ' HG13 ' A' 1011 ' ' ILE . 50.6 m -86.56 -23.27 25.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.986 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' 1004 ' ' ALA . 85.8 t -50.81 -57.63 12.87 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . 0.504 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 54.8 Cg_endo -69.67 -20.81 34.8 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.95 1.767 . . . . 0.0 113.381 -176.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 29.3 p -84.86 -13.61 50.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.802 0.334 . . . . 0.0 111.749 -176.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' 1007 ' ' SER . 90.7 mt -94.22 126.86 46.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.424 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -68.75 -41.19 79.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.995 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.25 108.66 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 110.41 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.541 ' O ' ' HG3' ' A' 1018 ' ' MET . 45.8 mt-30 -70.08 -26.18 63.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.383 -175.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -62.4 -49.13 76.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.649 0.261 . . . . 0.0 110.64 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 38.2 m -66.13 -35.69 81.16 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.364 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -63.46 -48.08 79.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . 0.541 ' HG3' ' O ' ' A' 1014 ' ' GLN . 83.9 mtp -63.24 -34.88 78.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.009 0.433 . . . . 0.0 110.298 177.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . 0.47 ' HG3' ' HB1' ' A' ' 934' ' ' ALA . 50.7 tp60 -61.7 -46.04 91.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.133 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . 0.735 ' HA ' ' SG ' ' A' 1023 ' ' CYS . 26.2 mt -69.13 -40.86 78.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.246 177.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 32.3 t -56.71 -43.36 80.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' 1025 ' ' LYS . 6.4 tp60 -67.89 -54.57 17.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.744 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . 0.735 ' SG ' ' HA ' ' A' 1020 ' ' LEU . 24.8 p -63.43 -42.09 98.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.608 0.242 . . . . 0.0 111.427 -174.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.54 86.55 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' 1022 ' ' GLN . 14.4 ptmm? -72.57 -29.69 63.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.175 -179.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.17 -52.66 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.984 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 43.3 tp -61.13 -40.54 94.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.666 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.77 -50.55 66.2 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.534 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 6.4 m -69.81 -33.24 72.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.821 0.343 . . . . 0.0 110.762 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -62.03 -49.2 76.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.288 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . 0.554 HD21 ' HE2' ' A' ' 993' ' ' PHE . 95.3 mt -64.93 -32.17 73.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.737 178.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.2 -55.73 25.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.536 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -81.68 -20.93 38.52 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.323 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -45.3 68.51 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -64.07 -40.89 97.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.301 176.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . 0.562 HG22 ' HE2' ' A' 1040 ' ' LYS . 61.8 m -66.0 -35.84 81.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.802 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.83 -53.1 52.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.019 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.12 80.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.171 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -62.97 -52.51 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.693 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . 0.562 ' HE2' HG22 ' A' 1036 ' ' THR . 58.1 mtmt -68.7 -20.84 64.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.76 0.314 . . . . 0.0 111.288 -177.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -83.26 -20.76 33.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.88 0.371 . . . . 0.0 110.833 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' 1042 ' ' GLN . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.198 -176.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.809 0.338 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 30.9 m -69.72 -25.8 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.591 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -56.22 -43.15 78.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.196 173.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -72.67 -39.88 66.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.79 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . 0.478 ' HG ' HD22 ' A' ' 986' ' ' LEU . 62.0 tp -55.51 -46.28 76.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.051 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -53.42 -53.29 53.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.18 0.514 . . . . 0.0 111.141 177.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -69.98 -33.07 71.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.068 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -69.37 -38.8 78.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.703 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -68.57 -38.99 81.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.865 0.364 . . . . 0.0 110.643 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -61.5 -50.72 71.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.941 177.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -66.98 -30.44 70.55 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.723 0.297 . . . . 0.0 110.567 -178.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.0 -49.42 61.68 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.124 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.68 84.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.39 177.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -61.79 -55.36 30.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.269 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 47.3 m -63.93 -35.12 79.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.407 -176.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . 0.507 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.83 -44.72 96.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.887 0.375 . . . . 0.0 110.213 176.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 28.4 m -61.15 -40.73 94.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.495 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -62.21 -38.6 89.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.755 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 19.0 m -71.83 -46.02 59.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.683 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.561 HG23 ' HB3' ' A' ' 956' ' ' CYS . 69.1 mt -59.34 -48.15 88.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 120.719 0.295 . . . . 0.0 111.641 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -57.88 -36.08 71.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.429 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -82.52 -44.44 15.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.708 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -62.31 -41.82 98.86 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -174.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -78.05 8.69 4.45 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 41.2 m80 . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -177.922 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . 0.845 HD12 ' HB2' ' A' 1003 ' ' ALA . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.101 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . 0.708 ' HB3' ' HB1' ' A' ' 935' ' ' ALA . 12.6 mt -47.77 -57.58 5.41 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.672 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . 0.46 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 43.8 t -53.88 -37.12 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.578 -176.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -70.98 -42.76 69.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.656 -179.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . 0.408 ' O ' HG23 ' A' ' 959' ' ' VAL . 22.7 m -64.89 -40.56 95.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.731 177.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . 0.561 ' HB3' HG23 ' A' ' 932' ' ' ILE . 73.4 m -56.2 -33.26 65.15 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 178.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 62.7 mttm -62.51 -50.0 73.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.45 178.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.25 80.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 963' ' ' ILE . 91.6 t -64.15 -42.23 94.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.243 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.93 -23.31 65.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.853 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 15.1 mm-40 -83.87 -20.16 33.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.755 0.312 . . . . 0.0 110.798 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . 0.411 ' HB3' ' HD1' ' A' ' 993' ' ' PHE . 14.3 mm100 -95.71 -24.55 16.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.581 -177.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 959' ' ' VAL . 74.0 mt -53.19 -55.76 30.83 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 18.5 Cg_endo -59.5 -33.76 97.12 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.905 1.736 . . . . 0.0 112.007 179.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.8 -37.87 89.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.789 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.643 ' O ' HG23 ' A' ' 970' ' ' VAL . 85.7 mt -56.64 -56.85 16.21 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.999 173.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.22 -36.37 75.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.375 -175.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -58.91 -42.94 90.85 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.878 0.371 . . . . 0.0 110.044 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.3 -43.81 92.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.964 176.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 966' ' ' LEU . 39.5 t -56.85 -43.62 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.007 0.432 . . . . 0.0 110.14 177.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -57.03 -41.06 77.91 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.084 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.03 -46.55 93.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.438 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 16.0 t -69.03 -34.89 75.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.754 0.311 . . . . 0.0 110.637 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -63.99 -38.3 90.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.813 0.339 . . . . 0.0 110.469 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -72.17 -55.66 6.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.782 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -136.19 95.21 13.47 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -67.16 -21.87 47.89 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.29 1.993 . . . . 0.0 111.289 175.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.84 -14.36 59.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.739 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.412 ' O ' ' HG2' ' A' ' 983' ' ' GLN . 32.8 t -82.92 115.42 58.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 -175.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.558 ' O ' ' HG ' ' A' ' 984' ' ' LEU . 18.0 Cg_exo -66.03 -34.74 36.86 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.411 2.074 . . . . 0.0 110.927 175.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 15.8 m -63.25 -41.99 99.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.708 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.6 91.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.498 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 979' ' ' SER . 53.9 mm-40 -66.03 -43.77 86.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.92 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 980' ' ' PRO . 93.7 mt -55.95 -38.94 71.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.866 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.59 80.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.674 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . 0.478 HD22 ' HG ' ' A' ' 917' ' ' LEU . 0.7 OUTLIER -63.84 -52.44 60.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.372 -179.292 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . . . . . . . . . 84.7 mt -58.09 -49.59 80.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.263 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -60.44 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.159 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.11 83.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.291 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.524 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 51.9 m -65.89 -45.67 81.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . 0.483 ' HA ' HD12 ' A' ' 994' ' ' LEU . 95.4 mt-30 -69.26 -37.41 77.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.882 0.373 . . . . 0.0 110.435 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 73.5 m -75.37 -5.87 47.05 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.272 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.507 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 78.2 t80 -95.04 -31.6 13.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.072 0.463 . . . . 0.0 109.862 175.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 990' ' ' SER . 61.2 mt -59.34 -40.4 86.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.468 177.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.838 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 52.2 tt0 -54.66 -63.71 2.61 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.759 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.838 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 12.2 Cg_exo -70.7 -33.65 12.69 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 121.897 1.732 . . . . 0.0 111.977 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.1 -49.43 75.07 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.463 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.22 -34.71 85.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.084 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.77 -37.6 86.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.817 0.341 . . . . 0.0 110.582 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 46.7 ttp -73.8 -33.14 64.09 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.233 -177.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 997' ' ' GLY . 58.1 t -62.56 -45.43 98.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.963 0.411 . . . . 0.0 110.03 175.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.1 88.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.604 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . 0.845 ' HB2' HD12 ' A' ' 951' ' ' LEU . . . -65.28 -41.73 93.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.822 177.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.633 ' O ' HG23 ' A' 1008 ' ' VAL . . . -60.71 -51.99 67.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.965 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.18 -32.1 66.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.656 -178.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -84.64 -21.87 30.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.675 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . 0.48 ' O ' HG13 ' A' 1011 ' ' ILE . 14.4 t -90.67 -24.54 20.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.653 0.263 . . . . 0.0 110.893 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' 1004 ' ' ALA . 84.6 t -55.03 -51.03 82.96 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' 1008 ' ' VAL . 35.2 Cg_endo -65.36 -20.82 61.61 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.871 1.714 . . . . 0.0 112.954 -176.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 72.8 p -84.93 -14.66 46.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.124 0.488 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' 1007 ' ' SER . 61.8 mt -81.88 116.08 25.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -86.83 -2.33 58.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.905 0.383 . . . . 0.0 110.974 -177.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.14 121.14 31.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.538 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' 1018 ' ' MET . 80.9 mm-40 -63.55 -59.27 4.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.634 -171.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -61.94 -39.07 90.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.736 0.303 . . . . 0.0 111.102 -176.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 19.1 m -62.8 -44.38 96.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.891 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.449 ' HB2' ' HB ' ' A' 1011 ' ' ILE . . . -70.35 -41.8 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.137 -179.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' 1014 ' ' GLN . 92.5 mtp -61.83 -42.47 99.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.283 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -68.14 -38.5 82.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.549 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . 0.554 HD11 HD11 ' A' ' 952' ' ' LEU . 2.1 tm? -61.0 -44.84 96.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.866 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . 0.423 ' HB2' HG21 ' A' 1008 ' ' VAL . 47.9 t -68.38 -33.97 75.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -63.25 -48.0 80.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.22 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 72.0 m -60.63 -41.83 95.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.829 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.0 97.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 177.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -62.95 -44.88 94.85 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.441 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.32 -47.09 80.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.64 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 60.8 tp -63.58 -44.28 94.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.16 -39.63 92.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.165 -0.54 . . . . 0.0 112.439 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.8 m -77.42 -36.44 53.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 110.783 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.29 92.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.257 176.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.43 -31.04 68.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.769 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.54 -57.07 12.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.77 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.68 -22.48 34.54 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.046 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.38 -43.58 98.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.297 0.57 . . . . 0.0 109.715 174.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 32.0 ttp-105 -59.4 -40.23 85.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.652 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 29.4 m -72.2 -45.7 59.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.009 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -59.32 -50.39 74.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.38 -35.83 80.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -67.28 -51.48 52.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -67.0 -31.38 71.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.898 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -68.91 -35.61 77.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.079 0.466 . . . . 0.0 110.262 175.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 63.5 tt0 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.972 177.92 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 913' ' ' LEU . . . . . 0.549 ' HA ' ' HD3' ' A' ' 916' ' ' ARG . 64.0 mt . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 120.613 0.244 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 914' ' ' VAL . . . . . 0.568 HG11 ' HG2' ' A' ' 983' ' ' GLN . 26.3 m -87.15 -26.55 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -67.7 -18.41 64.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.228 0.537 . . . . 0.0 110.581 178.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 916' ' ' ARG . . . . . 0.624 ' NH2' ' HA ' ' A' 1037 ' ' ALA . 20.6 mtp-105 -67.38 -34.15 76.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.691 173.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 917' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 914' ' ' VAL . 20.9 mt -70.09 -40.03 75.22 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.009 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 918' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 83.5 mt-10 -53.75 -48.9 69.24 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.523 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -61.16 -53.96 50.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.988 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.42 73.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.67 -175.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -63.65 -35.31 80.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -173.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 922' ' ' LYS . . . . . 0.438 ' CG ' HG11 ' A' ' 970' ' ' VAL . 55.4 mtmt -59.36 -54.32 48.13 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.708 0.289 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -80.5 -17.65 50.93 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.278 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.52 -48.89 63.18 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 172.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 925' ' ' ALA . . . . . 0.713 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -60.05 -37.6 80.31 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.663 176.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.42 -54.9 21.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.911 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 42.7 m -60.29 -34.71 74.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.139 -178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 928' ' ' ALA . . . . . 0.523 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -62.25 -46.3 89.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.555 176.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 42.1 m -61.31 -36.16 79.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.538 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -68.02 -40.22 82.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.715 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 23.5 m -66.21 -39.41 89.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.496 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 932' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 928' ' ' ALA . 79.2 mt -63.83 -41.64 93.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.279 176.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -62.84 -39.48 94.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.669 177.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 934' ' ' ALA . . . . . 0.407 ' HB2' ' HG3' ' A' 1019 ' ' GLN . . . -65.7 -43.41 89.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.657 176.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 935' ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -64.24 -43.42 94.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.26 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -76.06 -4.91 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 0.0 111.641 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 25.1 t60 . . . . . 0 C--N 1.323 -0.585 0 CA-C-O 121.571 0.701 . . . . 0.0 109.302 173.798 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 6.1 mp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.823 0.344 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 952' ' ' LEU . . . . . 0.616 HD21 ' HA ' ' A' 1004 ' ' ALA . 95.6 mt -50.63 -53.24 32.4 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.429 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 953' ' ' VAL . . . . . 0.656 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 48.0 t -54.24 -41.71 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.14 -176.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 954' ' ' GLN . . . . . 0.723 ' HA ' ' HE2' ' A' ' 957' ' ' LYS . 26.6 mm-40 -64.11 -52.58 58.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.884 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 955' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 959' ' ' VAL . 16.7 m -64.95 -41.08 95.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.176 -178.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 87.0 m -59.4 -38.12 79.76 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.606 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 957' ' ' LYS . . . . . 0.723 ' HE2' ' HA ' ' A' ' 954' ' ' GLN . 51.9 mtmt -56.68 -53.61 55.68 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 120.755 0.312 . . . . 0.0 110.193 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 958' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -61.76 -48.38 80.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.277 -178.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 959' ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' ' 963' ' ' ILE . 95.6 t -59.33 -43.3 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.195 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -63.03 -19.81 64.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.786 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 961' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 66.8 mt-10 -90.34 -22.75 21.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.012 0.434 . . . . 0.0 110.616 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 962' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 958' ' ' ALA . 16.3 mm100 -89.73 -25.85 20.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 963' ' ' ILE . . . . . 0.713 HG23 ' HB1' ' A' ' 925' ' ' ALA . 83.2 mt -55.17 -54.25 52.55 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.03 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 964' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 18.0 Cg_endo -59.04 -31.53 95.81 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.02 1.813 . . . . 0.0 112.159 177.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 70.7 mt -68.64 -39.1 80.9 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.816 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 966' ' ' LEU . . . . . 0.602 ' O ' HG23 ' A' ' 970' ' ' VAL . 66.9 mt -57.3 -59.54 4.96 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.087 0.47 . . . . 0.0 109.934 173.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.59 -34.19 60.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.099 -175.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 968' ' ' GLN . . . . . 0.811 HE21 ' HA ' ' A' ' 968' ' ' GLN . 0.0 OUTLIER -59.41 -43.45 93.0 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.056 0.455 . . . . 0.0 109.986 174.644 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -69.88 -43.49 65.88 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.033 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 970' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 966' ' ' LEU . 58.2 t -58.11 -55.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.893 0.378 . . . . 0.0 111.057 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 971' ' ' ARG . . . . . 0.46 ' HA ' HE21 ' A' ' 974' ' ' GLN . 82.9 mtp180 -68.12 -23.66 64.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.705 -177.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -71.6 -44.37 49.72 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.704 174.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 27.8 t -66.29 -34.84 78.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 110.331 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 974' ' ' GLN . . . . . 0.46 HE21 ' HA ' ' A' ' 971' ' ' ARG . 49.0 mt-30 -65.85 -38.76 89.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.177 175.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -66.54 -49.57 66.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.812 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -129.72 89.49 46.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -76.4 -4.69 15.36 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.706 2.271 . . . . 0.0 112.441 178.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -99.0 -27.99 13.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.627 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 979' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 980' ' ' PRO . 71.4 m -86.32 111.83 41.76 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.637 -173.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 980' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 979' ' ' SER . 26.5 Cg_exo -61.62 -23.55 76.59 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.196 2.597 . . . . 0.0 112.43 -175.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 2.6 m -59.5 -41.82 90.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.227 178.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -67.55 -41.92 83.48 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.537 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 983' ' ' GLN . . . . . 0.568 ' HG2' HG11 ' A' ' 914' ' ' VAL . 2.3 mp0 -60.3 -52.38 65.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.324 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.87 -33.12 73.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.412 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.15 -32.23 73.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.976 0.417 . . . . 0.0 110.559 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 986' ' ' LEU . . . . . 0.443 HD22 ' HB3' ' A' ' 917' ' ' LEU . 2.3 tt -79.24 -47.79 15.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.529 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 987' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 983' ' ' GLN . 73.8 mt -57.48 -50.59 76.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.28 -177.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.74 92.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.028 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.01 94.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 990' ' ' SER . . . . . 0.554 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 37.1 m -61.92 -46.62 88.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.697 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 991' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -59.08 -43.5 91.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.237 0.541 . . . . 0.0 110.534 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 16.6 t -80.34 1.44 28.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.893 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 993' ' ' PHE . . . . . 0.523 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 81.8 t80 -102.91 -31.37 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.108 0.48 . . . . 0.0 109.804 175.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 994' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 990' ' ' SER . 72.0 mt -58.39 -42.32 86.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.529 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 995' ' ' GLN . . . . . 0.61 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 7.8 tt0 -58.04 -64.45 2.74 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.926 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 996' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 55.5 Cg_endo -69.93 -30.81 20.89 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 121.677 1.585 . . . . 0.0 112.179 -179.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 997' ' ' GLY . . . . . 0.495 ' O ' HG23 ' A' 1001 ' ' VAL . . . -65.22 -53.02 35.56 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.093 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.99 90.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.808 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -65.91 -38.31 88.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.714 -0.243 . . . . 0.0 111.076 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1000 ' ' MET . . . . . . . . . . . . . 51.7 ttp -72.75 -31.5 64.97 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.355 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1001 ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 997' ' ' GLY . 93.4 t -61.13 -48.64 88.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 173.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -63.87 -44.87 91.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.701 178.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.94 95.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.954 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1004 ' ' ALA . . . . . 0.616 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -60.31 -48.05 83.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.535 177.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 63.7 mttm -60.12 -40.57 90.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.231 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -72.69 -17.91 61.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.533 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1007 ' ' SER . . . . . 0.436 ' O ' HG13 ' A' 1011 ' ' ILE . 46.2 m -87.41 -28.25 22.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.986 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1008 ' ' VAL . . . . . 0.641 HG13 ' HB1' ' A' 1017 ' ' ALA . 98.9 t -51.47 -53.01 54.45 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -177.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1009 ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' 1008 ' ' VAL . 41.7 Cg_endo -68.1 -24.51 38.6 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.806 1.671 . . . . 0.0 112.847 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1010 ' ' THR . . . . . . . . . . . . . 63.0 p -87.04 7.49 27.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.155 0.502 . . . . 0.0 111.21 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1011 ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' 1007 ' ' SER . 86.6 mt -119.26 129.28 75.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.868 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -87.33 -16.07 36.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.046 0.45 . . . . 0.0 110.714 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 12.5 t70 -80.7 114.54 19.66 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -14.11 58.3 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.771 -173.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -73.04 -49.41 28.85 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1016 ' ' SER . . . . . . . . . . . . . 44.0 m -67.14 -36.6 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.25 175.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1017 ' ' ALA . . . . . 0.641 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -62.84 -47.56 82.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.337 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1018 ' ' MET . . . . . 0.51 ' HA ' ' CE ' ' A' 1018 ' ' MET . 21.2 mmt -71.17 -34.96 71.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.834 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1019 ' ' GLN . . . . . 0.407 ' HG3' ' HB2' ' A' ' 934' ' ' ALA . 8.5 tp-100 -61.75 -43.47 98.78 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 17.6 mt -59.93 -50.45 73.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.23 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1021 ' ' SER . . . . . . . . . . . . . 41.7 t -57.13 -42.14 80.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.123 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -69.53 -45.11 69.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.823 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 77.8 m -65.67 -46.39 79.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.963 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1024 ' ' ALA . . . . . 0.431 ' HB1' HG13 ' A' 1001 ' ' VAL . . . -60.06 -35.23 74.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.745 0.307 . . . . 0.0 111.098 178.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -65.38 -47.38 76.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 110.458 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -66.5 -46.37 76.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.04 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.69 -42.39 97.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.435 177.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.95 -45.95 94.38 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.342 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1029 ' ' THR . . . . . . . . . . . . . 8.9 m -70.27 -34.2 72.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.065 0.46 . . . . 0.0 110.504 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.1 -45.37 95.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.277 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1031 ' ' LEU . . . . . 0.415 HD22 HD23 ' A' ' 994' ' ' LEU . 96.5 mt -68.66 -32.72 72.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.62 177.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.65 -49.5 77.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.047 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.99 -29.77 49.84 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.76 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 54.1 tp -65.38 -46.0 81.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.541 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -63.1 -47.06 84.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1036 ' ' THR . . . . . . . . . . . . . 11.1 m -61.81 -35.82 79.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.153 0.501 . . . . 0.0 110.495 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1037 ' ' ALA . . . . . 0.624 ' HA ' ' NH2' ' A' ' 916' ' ' ARG . . . -67.87 -51.24 50.45 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.56 177.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.8 90.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.264 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -56.29 -60.69 3.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.695 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1040 ' ' LYS . . . . . 0.485 ' O ' HD13 ' A' ' 913' ' ' LEU . 56.3 mtmt -80.82 13.75 2.5 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.633 -176.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -113.15 -7.27 13.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.109 0.481 . . . . 0.0 109.951 172.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.484 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 49.0 mm -97.87 102.64 13.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.987 0.422 . . . . 0.0 110.865 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -109.43 108.0 59.76 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 173.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . 0.503 ' HG2' HG23 ' A' ' 912' ' ' THR . 94.1 Cg_endo -82.64 -160.66 0.13 Allowed 'Trans proline' 0 N--CA 1.456 -0.71 0 C-N-CA 123.266 2.644 . . . . 0.0 112.554 -175.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -77.45 -44.57 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.172 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . 0.503 HG23 ' HG2' ' A' ' 910' ' ' PRO . 47.4 p 58.83 131.57 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 176.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.484 HD13 ' HA ' ' A' 1041 ' ' ALA . 60.1 mt 68.61 -54.53 0.54 Allowed 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 114.911 -1.041 . . . . 0.0 111.439 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 29.2 m -72.71 -22.28 20.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 175.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -54.83 -51.14 66.8 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.379 177.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 916' ' ' ARG . 11.7 ptp180 -73.59 -30.52 63.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.609 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . 0.45 HD21 ' HA ' ' A' 1038 ' ' ALA . 21.2 mt -61.09 -52.82 63.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.777 176.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.562 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 37.7 mt-10 -51.22 -54.38 26.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.231 0.539 . . . . 0.0 110.7 178.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -65.52 -44.81 85.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.102 -174.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.39 77.22 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.366 -177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -68.22 -36.25 79.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.352 -178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . 0.562 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 94.0 mttt -61.71 -52.15 65.46 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.834 0.35 . . . . 0.0 110.489 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . 0.568 HE21 ' HA ' ' A' 1030 ' ' ALA . 12.4 pt20 -70.31 -27.39 64.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.666 -178.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . 0.493 ' HA ' ' HB1' ' A' 1030 ' ' ALA . . . -67.26 -49.84 62.81 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . 0.468 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -58.39 -42.46 87.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.73 177.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.24 -52.76 60.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.284 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 47.0 m -66.64 -34.51 78.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.363 -176.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . 0.551 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.55 -49.08 78.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.714 0.292 . . . . 0.0 110.847 178.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 45.5 m -56.37 -42.84 78.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.885 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -65.51 -42.25 92.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.054 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . 0.422 ' HA ' ' HB3' ' A' 1023 ' ' CYS . 25.3 m -64.09 -42.77 96.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.687 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.61 ' O ' ' HG2' ' A' ' 936' ' ' GLN . 89.9 mt -59.27 -47.73 89.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.684 177.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' A' ' 937' ' ' HIS . . . -61.51 -27.61 68.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.763 -177.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -87.71 -41.94 12.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.32 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.536 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -61.1 -51.58 68.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.815 -175.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . 0.61 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 13.8 pt20 -85.85 6.95 25.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.517 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . 0.45 ' HB2' ' O ' ' A' ' 933' ' ' ALA . 26.7 t60 -77.26 -28.11 53.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.955 0.407 . . . . 0.0 109.936 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -127.35 -52.07 1.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.272 -178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . 67.17 117.77 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.569 0.7 . . . . 0.0 111.514 -178.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.419 ' OG ' ' HB3' ' A' 1007 ' ' SER . 6.5 m -84.18 40.07 0.75 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.468 -177.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -98.48 123.78 48.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.037 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -63.73 152.66 79.5 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.782 2.321 . . . . 0.0 112.082 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -89.74 -17.37 28.39 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -105.15 102.82 12.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.222 -0.299 . . . . 0.0 111.018 178.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 42.0 p 179.98 -175.86 0.31 Allowed 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.31 177.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -107.45 2.17 24.06 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.751 0.31 . . . . 0.0 111.028 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 164.39 82.25 0.05 OUTLIER Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -97.46 30.11 0.16 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 123.581 2.854 . . . . 0.0 113.213 -176.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -49.48 112.08 2.37 Favored Pre-proline 0 N--CA 1.466 0.364 0 O-C-N 123.48 0.487 . . . . 0.0 111.318 -174.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.57 132.0 31.63 Favored 'Trans proline' 0 C--O 1.237 0.431 0 C-N-CA 122.802 2.334 . . . . 0.0 112.367 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.629 HD12 ' HB2' ' A' 1003 ' ' ALA . 1.8 tm? -60.94 -30.91 70.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.383 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . 0.619 HD21 ' HA ' ' A' 1004 ' ' ALA . 62.8 mt -50.5 -64.81 0.69 Allowed 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.191 173.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 98.6 t -60.6 -36.79 72.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.6 -174.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -63.29 -38.4 91.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.197 0.523 . . . . 0.0 110.544 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 36.5 m -81.2 -32.62 33.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.718 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . 0.545 ' HB3' HG23 ' A' ' 932' ' ' ILE . 93.4 m -56.01 -47.24 78.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.191 178.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -66.4 -35.45 80.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.904 0.383 . . . . 0.0 110.404 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . 0.444 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -67.11 -52.38 42.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.065 0.459 . . . . 0.0 110.448 177.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.535 ' O ' HG13 ' A' ' 963' ' ' ILE . 71.6 t -59.83 -41.33 85.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.26 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -56.02 -33.92 65.36 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -86.69 -14.34 42.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.676 0.274 . . . . 0.0 111.441 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 958' ' ' ALA . 29.7 mm-40 -90.73 -25.83 19.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.815 0.341 . . . . 0.0 110.498 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.688 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 91.3 mt -53.37 -53.57 54.95 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.138 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.688 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 49.2 Cg_exo -57.36 -34.42 97.88 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.042 1.828 . . . . 0.0 112.252 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 87.3 mt -64.24 -42.05 96.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.852 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.641 ' O ' HG23 ' A' ' 970' ' ' VAL . 91.1 mt -56.49 -56.98 14.46 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.81 175.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 44.0 t -61.97 -36.29 73.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.384 -0.826 . . . . 0.0 111.237 -176.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -61.57 -44.76 96.43 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -63.71 -43.6 97.57 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.738 175.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.641 HG23 ' O ' ' A' ' 966' ' ' LEU . 70.1 t -56.23 -55.24 19.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.729 0.299 . . . . 0.0 110.643 177.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 971' ' ' ARG . 20.2 mtm180 -61.24 -34.18 74.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -65.32 -42.12 96.28 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.797 -0.715 . . . . 0.0 111.652 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . 0.551 ' HB2' HD12 ' A' ' 986' ' ' LEU . 28.9 t -67.99 -36.6 80.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.694 0.283 . . . . 0.0 110.719 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.548 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 24.5 mt-30 -61.32 -40.45 94.24 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.278 0.561 . . . . 0.0 110.306 177.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -77.39 -47.32 20.13 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.877 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -129.46 81.6 69.58 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.455 -0.338 . . . . 0.0 111.51 -176.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_exo -71.88 -18.16 28.33 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.69 2.26 . . . . 0.0 111.657 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -104.76 22.83 14.44 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.695 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 29.0 t -112.21 115.38 50.12 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.448 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.16 -26.26 82.08 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.645 2.23 . . . . 0.0 111.661 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 14.5 m -66.13 -47.01 75.51 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.22 178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -73.0 -38.94 66.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.572 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . 0.478 ' O ' HG13 ' A' ' 987' ' ' ILE . 54.0 mt-30 -57.26 -61.17 2.66 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.142 177.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 984' ' ' LEU . 4.3 mm? -61.46 -32.06 72.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.3 -177.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -61.22 -49.93 75.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 110.519 177.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . 0.551 HD12 ' HB2' ' A' ' 973' ' ' SER . 1.2 tt -64.0 -46.45 84.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.848 179.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 983' ' ' GLN . 79.2 mt -58.83 -45.65 91.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.079 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -66.96 -45.36 77.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.873 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.43 -40.14 89.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.583 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 50.6 m -59.33 -50.65 73.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.751 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . 0.721 ' HA ' HD12 ' A' ' 994' ' ' LEU . 48.4 mt-30 -67.96 -31.56 71.38 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.984 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 33.7 t -69.7 -32.19 70.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.354 176.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.551 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 83.1 t80 -75.77 -35.57 60.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.804 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.721 HD12 ' HA ' ' A' ' 991' ' ' GLN . 70.4 mt -58.53 -38.39 77.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.592 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.673 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 46.5 tt0 -58.26 -60.43 10.2 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.11 -174.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.673 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 77.7 Cg_endo -78.32 -27.63 5.23 Favored 'Trans proline' 0 C--N 1.355 0.916 0 C-N-CA 121.845 1.697 . . . . 0.0 112.233 177.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.448 ' O ' HG23 ' A' 1001 ' ' VAL . . . -64.29 -47.0 89.22 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.147 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.69 -33.72 86.1 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.056 -0.593 . . . . 0.0 112.005 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.6 -42.59 98.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.735 0.302 . . . . 0.0 110.612 178.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 45.8 ttp -69.7 -32.56 71.22 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.09 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 997' ' ' GLY . 65.5 t -65.33 -50.25 74.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.982 0.42 . . . . 0.0 110.152 175.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.14 -43.34 99.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.764 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . 0.629 ' HB2' HD12 ' A' ' 951' ' ' LEU . . . -65.23 -44.54 87.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.877 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.619 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -55.94 -52.59 63.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.801 -177.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 68.9 mttm -58.22 -33.02 68.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.555 -177.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -87.79 -15.81 35.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.426 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . 0.627 ' O ' HG13 ' A' 1011 ' ' ILE . 51.0 m -93.41 -21.16 19.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.062 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' 1004 ' ' ALA . 72.6 t -52.39 -53.84 48.67 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.17 -11.37 30.18 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 121.784 1.656 . . . . 0.0 112.743 -177.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 44.9 p -105.24 5.02 31.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.95 0.405 . . . . 0.0 111.22 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' 1007 ' ' SER . 60.9 mt -85.67 128.98 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 173.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -76.07 -36.24 59.07 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.666 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.86 115.13 18.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.0 0.429 . . . . 0.0 110.526 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.48 -39.61 91.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.511 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.86 -50.15 75.06 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.958 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 22.6 m -62.89 -41.69 99.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.097 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -58.88 -53.7 55.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.973 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 90.0 mmm -65.05 -36.67 85.09 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -65.82 -47.05 76.32 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.244 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.95 -38.04 84.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.627 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 37.5 m -56.6 -48.77 76.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.973 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -69.39 -41.29 76.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.677 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . 0.422 ' HB3' ' HA ' ' A' ' 931' ' ' THR . 83.3 m -61.78 -49.62 75.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.338 -179.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.4 -31.14 72.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.82 -179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -68.32 -35.46 77.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.273 0.559 . . . . 0.0 110.103 177.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -73.02 -48.56 35.22 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.18 176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . 0.469 ' O ' ' HG ' ' A' 1031 ' ' LEU . 48.9 tp -61.75 -42.42 98.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.924 -178.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.59 -41.59 97.37 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.362 178.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 23.7 m -74.68 -33.86 62.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.113 0.483 . . . . 0.0 110.371 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . 0.568 ' HA ' HE21 ' A' ' 923' ' ' GLN . . . -61.96 -43.8 98.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.159 175.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . 0.643 HD22 HD23 ' A' ' 994' ' ' LEU . 88.1 mt -66.54 -35.91 81.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.408 176.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.48 -42.42 78.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.148 0.499 . . . . 0.0 110.6 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -69.33 -57.16 5.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.474 175.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . 0.445 ' HG ' ' HB3' ' A' ' 990' ' ' SER . 28.8 tp -57.25 -45.48 83.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.184 -173.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . 0.451 ' HA ' HD11 ' A' ' 994' ' ' LEU . 48.1 ttt180 -60.76 -41.43 95.45 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.03 0.443 . . . . 0.0 110.904 -178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . 0.534 HG22 ' HE2' ' A' 1040 ' ' LYS . 13.7 m -77.16 -32.22 56.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.28 0.562 . . . . 0.0 110.246 178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.13 -53.08 55.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.132 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . 0.45 ' HA ' HD21 ' A' ' 917' ' ' LEU . . . -65.61 -31.63 72.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.693 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.84 -50.07 75.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.289 177.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . 0.534 ' HE2' HG22 ' A' 1036 ' ' THR . 68.7 mttm -67.81 -33.17 74.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.247 -178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . 0.484 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -77.32 -22.86 51.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.705 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -88.96 -61.84 1.62 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.319 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -90.73 -21.8 21.41 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.569 0.211 . . . . 0.0 111.569 -176.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.216 0 O-C-N 123.523 0.514 . . . . 0.0 111.8 -178.86 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.663 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 908' ' ' ILE . 16.8 mt 61.9 31.45 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 122.045 0.926 . . . . 0.0 109.755 -177.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -174.75 89.22 0.32 Allowed Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 114.67 -1.15 . . . . 0.0 109.343 -177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -78.95 4.48 6.47 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.968 2.446 . . . . 0.0 113.435 -172.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -120.19 147.33 45.06 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.837 -0.619 . . . . 0.0 109.572 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . 0.511 ' OG1' HG22 ' A' ' 914' ' ' VAL . 0.1 OUTLIER -66.2 157.89 30.24 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 173.675 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 5.5 mp -76.87 -11.57 59.84 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.967 -176.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . 0.566 HG21 ' HB2' ' A' ' 983' ' ' GLN . 25.3 m -80.88 -8.11 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 0.0 110.257 175.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.95 -35.89 82.17 Favored 'General case' 0 C--O 1.233 0.218 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 174.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -63.81 -40.74 97.36 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.713 173.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . 0.741 ' HB3' HD22 ' A' ' 986' ' ' LEU . 47.1 mt -61.13 -42.32 98.32 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.217 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 70.4 mt-10 -53.71 -49.73 67.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.04 0.448 . . . . 0.0 110.583 176.291 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 -68.56 -45.95 70.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.734 -177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -67.51 -39.31 85.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.63 -177.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.76 83.17 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 121.381 -0.128 . . . . 0.0 111.195 -178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 97.8 mttt -62.83 -48.03 80.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.682 0.277 . . . . 0.0 110.641 177.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -71.29 -34.53 70.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.752 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -64.65 -46.65 81.61 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 176.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . 0.623 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -58.17 -44.1 87.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.298 176.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.59 -57.77 9.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.241 178.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 62.5 m -57.67 -36.64 72.2 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.407 -176.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . 0.536 ' O ' HG13 ' A' ' 932' ' ' ILE . . . -60.24 -43.54 95.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.167 175.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 28.2 m -60.4 -49.35 77.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.756 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -58.88 -37.45 76.58 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.714 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 13.9 m -68.48 -42.64 78.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.797 0.332 . . . . 0.0 110.332 178.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 928' ' ' ALA . 77.4 mt -62.38 -41.58 92.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 121.04 0.448 . . . . 0.0 110.186 177.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -61.39 -47.53 85.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.713 177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.29 90.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -59.15 -40.14 84.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.097 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -76.15 -36.14 58.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.107 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -69.27 -37.88 78.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 -178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . 0.519 ' HB1' HD13 ' A' 1011 ' ' ILE . . . -77.96 -26.54 48.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.196 175.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . 63.21 93.51 0.05 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.512 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.46 ' O ' ' HB3' ' A' ' 950' ' ' PRO . 19.5 m -86.24 86.2 7.34 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.795 179.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -116.84 144.53 33.6 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.628 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . 0.714 ' HB3' ' HG2' ' A' ' 948' ' ' PRO . 52.6 Cg_exo -55.63 152.27 34.94 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.742 2.294 . . . . 0.0 111.914 177.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -80.36 7.45 9.61 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.994 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -126.32 165.14 19.55 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.592 175.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 70.2 m -68.99 -30.31 68.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.737 0.303 . . . . 0.0 111.161 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -153.39 172.58 16.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.295 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 115.03 -100.14 0.96 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.27 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.714 ' HG2' ' HB3' ' A' ' 942' ' ' PRO . 29.8 Cg_endo -63.14 157.8 47.47 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.734 2.289 . . . . 0.0 112.531 -179.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -102.15 147.0 33.31 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.037 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . 0.46 ' HB3' ' O ' ' A' ' 940' ' ' SER . 51.8 Cg_exo -53.79 -33.19 69.71 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.186 2.59 . . . . 0.0 112.721 -179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 1.4 tm? 74.26 -55.99 0.65 Allowed 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.667 0.787 . . . . 0.0 110.83 175.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . 0.581 ' HA ' ' HB1' ' A' 1003 ' ' ALA . 1.6 tt -61.8 -45.99 91.47 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 177.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . 0.746 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 66.8 t -60.67 -38.08 77.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.918 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -60.95 -39.96 91.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.302 0.573 . . . . 0.0 110.018 176.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 959' ' ' VAL . 15.9 m -76.88 -43.04 37.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.259 -177.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . 0.746 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 32.1 p -65.57 -37.8 87.73 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 121.303 -0.159 . . . . 0.0 111.069 -176.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -63.31 -37.14 86.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.688 0.28 . . . . 0.0 110.636 176.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . 0.463 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -68.25 -41.08 81.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.961 0.41 . . . . 0.0 110.449 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 963' ' ' ILE . 81.3 t -66.81 -40.13 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.925 178.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -59.8 -25.44 64.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.636 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -84.58 -22.08 30.17 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.826 0.346 . . . . 0.0 110.786 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . 0.581 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 11.8 mm100 -85.71 -25.58 26.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.743 -178.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.693 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 78.9 mt -54.04 -53.24 60.69 Favored Pre-proline 0 CA--C 1.538 0.514 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.839 179.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.693 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 36.6 Cg_exo -59.08 -33.19 98.46 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 122.0 1.8 . . . . 0.0 112.114 176.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 74.3 mt -66.62 -37.55 85.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.883 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.625 ' O ' HG23 ' A' ' 970' ' ' VAL . 72.6 mt -59.07 -58.67 7.61 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.965 173.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 38.3 t -62.17 -34.13 62.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.079 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -58.58 -45.46 89.0 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.93 -41.73 93.17 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.488 -0.778 . . . . 0.0 112.029 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.625 HG23 ' O ' ' A' ' 966' ' ' LEU . 46.3 t -56.55 -51.14 69.08 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 121.063 0.459 . . . . 0.0 110.196 177.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -64.4 -28.22 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.971 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -66.92 -42.87 92.54 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.689 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 32.7 t -68.02 -36.07 79.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.086 0.469 . . . . 0.0 109.897 176.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 51.2 mt-30 -70.97 -21.71 62.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.0 177.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -69.64 -60.27 2.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.134 177.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -140.2 91.75 9.84 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.952 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.86 -13.5 36.93 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 122.657 2.238 . . . . 0.0 111.364 176.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -81.71 -5.6 58.27 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.396 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 30.6 t -108.56 109.33 61.41 Favored Pre-proline 0 N--CA 1.449 -0.516 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.665 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.602 ' HA ' ' HG2' ' A' ' 983' ' ' GLN . 21.6 Cg_exo -65.64 -21.29 59.34 Favored 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.591 2.194 . . . . 0.0 111.223 175.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 14.6 m -73.84 -34.15 64.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.205 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -76.42 -45.72 30.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.027 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . 0.602 ' HG2' ' HA ' ' A' ' 980' ' ' PRO . 11.5 pt20 -65.5 -25.4 67.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.698 -177.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . 0.712 HD22 HD12 ' A' ' 987' ' ' ILE . 0.2 OUTLIER -57.51 -33.6 68.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.501 178.092 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -65.54 -24.26 67.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.037 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . 0.741 HD22 ' HB3' ' A' ' 917' ' ' LEU . 1.2 tt -81.35 -43.67 18.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 176.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . 0.712 HD12 HD22 ' A' ' 984' ' ' LEU . 62.8 mt -57.88 -50.66 77.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.614 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -60.99 -44.08 97.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.788 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.83 95.96 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.23 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.616 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 37.1 m -58.81 -49.97 75.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.997 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . 0.641 ' HA ' HD12 ' A' ' 994' ' ' LEU . 77.3 mt-30 -67.31 -37.85 84.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.056 0.455 . . . . 0.0 110.682 -178.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 22.7 t -71.41 -16.24 62.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.786 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.412 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 86.6 t80 -90.04 -32.6 16.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.345 177.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 991' ' ' GLN . 79.0 mt -56.09 -42.95 77.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.244 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.87 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 48.5 tp60 -59.38 -60.79 9.41 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.906 -175.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.87 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 10.3 Cg_exo -72.23 -32.3 10.71 Favored 'Trans proline' 0 C--N 1.356 0.932 0 C-N-CA 121.91 1.74 . . . . 0.0 112.016 178.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.425 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.09 -48.59 82.11 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.246 -178.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.06 -33.71 86.6 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 121.029 -0.605 . . . . 0.0 111.986 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -67.2 -32.62 73.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.535 0.207 . . . . 0.0 111.095 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . 0.432 ' HG3' ' HA ' ' A' ' 956' ' ' CYS . 8.4 tmm? -78.41 -33.44 48.66 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 997' ' ' GLY . 98.7 t -57.62 -48.32 83.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.761 172.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.05 -45.99 83.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.828 178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . 0.581 ' HB1' ' HA ' ' A' ' 952' ' ' LEU . . . -58.47 -41.92 86.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.17 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.543 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.47 -53.67 55.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.795 178.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -60.39 -38.13 82.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.598 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -71.98 -24.8 61.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.494 -178.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 41.0 m -86.91 -21.57 26.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.083 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' 1004 ' ' ALA . 94.8 t -50.48 -56.67 16.92 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . 0.456 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 43.1 Cg_endo -68.4 -20.82 41.64 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 121.922 1.748 . . . . 0.0 113.185 -178.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 47.2 p -87.12 -11.88 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.357 . . . . 0.0 111.674 -177.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.519 HD13 ' HB1' ' A' ' 938' ' ' ALA . 84.3 mt -94.58 137.15 23.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -83.85 -27.86 28.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.36 -174.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 12.6 t70 -75.84 94.23 3.3 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 176.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -66.75 -28.98 68.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.621 -172.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -62.29 -51.32 68.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.975 0.417 . . . . 0.0 110.49 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 16.5 m -72.09 -32.32 66.9 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.675 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.408 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -62.55 -47.79 82.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 178.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 94.5 mmm -67.7 -22.49 65.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 111.013 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -66.48 -36.53 82.97 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 20.1 mt -64.85 -45.25 86.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.753 175.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.65 -38.19 69.23 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.076 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -73.55 -49.49 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.034 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 83.2 m -61.56 -43.14 99.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . 0.414 ' HB1' HG13 ' A' 1001 ' ' VAL . . . -61.29 -31.57 71.4 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.121 178.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -68.96 -49.03 61.5 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -61.93 -44.58 96.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.654 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' 1031 ' ' LEU . 54.7 tp -63.98 -39.68 94.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.442 177.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -63.96 -40.67 98.49 Favored Glycine 0 CA--C 1.517 0.212 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.3 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 22.4 m -71.59 -33.65 69.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.044 0.45 . . . . 0.0 110.375 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.21 -49.56 76.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.022 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . 0.518 HD22 HD23 ' A' ' 994' ' ' LEU . 95.6 mt -62.51 -34.23 76.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.797 177.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.58 -55.15 37.56 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.4 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.14 -27.46 48.19 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.901 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 44.2 tp -61.01 -46.65 89.91 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 175.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -65.67 -36.02 82.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.735 177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 41.1 m -67.32 -48.87 66.29 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.557 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -66.01 -44.1 85.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.18 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . 0.453 ' HA ' HD11 ' A' ' 917' ' ' LEU . . . -59.47 -39.26 83.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.283 -178.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' 1043 ' ' GLU . 53.4 tt0 -59.96 -52.56 64.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.056 -178.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -72.98 -33.74 66.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.128 -177.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . 0.495 ' HB1' HG12 ' A' ' 914' ' ' VAL . . . -68.72 -29.74 68.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.149 0.499 . . . . 0.0 110.854 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . 0.595 ' HA ' HD13 ' A' ' 987' ' ' ILE . 63.4 tt0 -70.66 -16.77 62.84 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.772 179.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' 1039 ' ' GLN . 40.2 mt-10 -90.65 -16.22 29.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.933 -0.556 . . . . 0.0 110.666 -178.111 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.872 0 N-CA-C 111.855 -0.498 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 41.5 mt 52.97 75.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.245 0 CA-C-O 121.496 0.665 . . . . 0.0 110.107 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -150.03 155.85 37.75 Favored Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.134 -177.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -76.62 14.27 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.922 2.415 . . . . 0.0 113.904 -176.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . 0.8 ' HD1' HG23 ' A' ' 912' ' ' THR . 7.6 p90 -135.93 -165.0 1.63 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.652 -0.249 . . . . 0.0 110.869 -178.087 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . 0.8 HG23 ' HD1' ' A' ' 911' ' ' PHE . 71.4 p 68.08 174.08 0.27 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.911 1.285 . . . . 0.0 112.83 177.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 912' ' ' THR . 79.9 mt 71.54 -55.31 0.66 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.587 -170.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . 0.486 HG11 ' HG3' ' A' ' 983' ' ' GLN . 32.8 m -79.75 -27.76 12.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.465 175.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . 0.42 ' O ' ' HD2' ' A' ' 919' ' ' HIS . 6.4 tp-100 -63.85 -46.99 82.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.745 176.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 74.9 ttt180 -63.57 -43.75 96.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.773 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . 0.613 ' HG ' HD22 ' A' ' 986' ' ' LEU . 25.4 tp -58.19 -45.6 87.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.942 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -53.12 -57.77 9.3 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.998 0.427 . . . . 0.0 111.169 176.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . 0.42 ' HD2' ' O ' ' A' ' 915' ' ' GLN . 67.7 m-70 -65.57 -41.28 93.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.181 -175.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . 0.795 ' HA ' HE21 ' A' ' 923' ' ' GLN . . . -62.58 -45.1 94.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.153 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.17 84.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.28 -179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . 0.429 ' HG3' HG11 ' A' ' 970' ' ' VAL . 53.2 mtmt -65.38 -40.09 93.06 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . 0.795 HE21 ' HA ' ' A' ' 920' ' ' ALA . 30.3 pt20 -74.32 -30.67 62.15 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.331 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -67.02 -47.23 72.08 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . 0.607 ' HB2' HD23 ' A' ' 966' ' ' LEU . . . -59.68 -41.19 90.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.591 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . 0.434 ' O ' ' HG2' ' A' ' 930' ' ' GLN . . . -65.27 -51.51 60.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.979 178.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 26.3 t -61.03 -37.22 81.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.486 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . 0.456 ' O ' HG13 ' A' ' 932' ' ' ILE . . . -60.82 -45.22 95.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.081 175.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 52.8 m -59.35 -43.52 92.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.525 177.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 926' ' ' ALA . 15.9 mm100 -62.2 -39.84 94.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.572 177.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . 0.492 ' HB ' ' HE1' ' A' 1000 ' ' MET . 15.9 m -69.03 -40.38 78.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.583 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 928' ' ' ALA . 70.3 mt -61.03 -50.58 79.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.36 176.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -58.73 -43.07 90.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.76 179.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.62 95.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.596 177.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -62.98 -43.92 97.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.145 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 97.2 mt-30 -62.33 -41.06 98.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.956 0.408 . . . . 0.0 110.93 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -81.44 -9.74 59.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.2 -177.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . 0.588 ' HB1' HD13 ' A' 1011 ' ' ILE . . . -102.68 14.05 32.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.024 0.44 . . . . 0.0 110.618 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -76.92 39.95 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.608 -178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 5.6 p -94.2 5.96 50.12 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.126 0.488 . . . . 0.0 110.484 178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . 0.728 ' HB2' ' HA ' ' A' 1011 ' ' ILE . . . -82.41 154.69 69.09 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.965 177.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . 0.766 ' HG2' ' HB3' ' A' ' 945' ' ' SER . 19.2 Cg_endo -61.25 147.29 95.98 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.165 1.91 . . . . 0.0 111.613 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . 0.733 ' HD3' ' H ' ' A' ' 943' ' ' LYS . 0.0 OUTLIER -65.32 -16.12 63.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 110.989 -179.285 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -117.65 80.86 1.57 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.111 0.481 . . . . 0.0 109.714 172.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . 0.766 ' HB3' ' HG2' ' A' ' 942' ' ' PRO . 8.0 p -126.51 103.51 7.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.27 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . 64.84 15.17 9.7 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.857 -176.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 154.42 162.73 11.37 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.649 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -73.75 112.87 3.64 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.959 2.439 . . . . 0.0 111.937 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 73.71 118.24 0.03 OUTLIER Pre-proline 0 N--CA 1.465 0.282 0 O-C-N 124.122 0.889 . . . . 0.0 110.722 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -48.03 131.01 20.95 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.25 2.633 . . . . 0.0 112.379 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 10.0 mt -73.36 -8.85 57.63 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.163 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . 0.445 HD21 ' HA ' ' A' 1004 ' ' ALA . 58.9 mt -57.83 -46.1 85.21 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.814 171.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 57.7 t -57.62 -50.6 76.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.106 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.14 -47.04 86.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.024 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . 0.473 ' O ' HG23 ' A' ' 959' ' ' VAL . 17.5 m -65.85 -49.79 66.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.9 -178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 88.4 m -59.51 -37.78 79.23 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.717 0.294 . . . . 0.0 111.25 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -62.8 -47.32 83.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.641 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -66.23 -41.64 89.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.196 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 963' ' ' ILE . 87.7 t -65.16 -41.56 92.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.718 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.97 -21.37 63.44 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.577 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -86.5 -31.27 21.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.772 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . 0.749 ' HG3' ' HG3' ' A' ' 996' ' ' PRO . 15.9 mm-40 -87.1 -28.36 22.56 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -176.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.682 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 72.6 mt -52.23 -53.94 47.07 Favored Pre-proline 0 N--CA 1.468 0.439 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 178.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.682 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 51.5 Cg_exo -55.25 -42.03 72.61 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.172 1.915 . . . . 0.0 112.37 178.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 91.8 mt -69.69 -35.55 75.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.014 0.435 . . . . 0.0 110.293 -177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 925' ' ' ALA . 51.2 tp -63.67 -51.77 63.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.096 175.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 91.7 t -64.18 -39.35 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.051 -179.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -62.19 -38.68 90.03 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 174.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -61.08 -49.15 81.54 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.744 -0.741 . . . . 0.0 111.626 174.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.602 ' HA ' ' HG ' ' A' ' 986' ' ' LEU . 48.8 t -55.07 -55.03 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-O 121.007 0.432 . . . . 0.0 110.766 178.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -67.31 -27.78 67.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.182 -176.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -66.56 -40.01 94.07 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.898 -0.667 . . . . 0.0 111.761 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . 0.617 ' OG ' ' HB2' ' A' ' 986' ' ' LEU . 17.5 m -70.92 -32.54 69.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.859 0.361 . . . . 0.0 110.451 176.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 96.0 mt-30 -67.63 -35.76 79.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.81 99.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.069 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -133.11 75.45 71.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.318 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.59 2.03 6.84 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.8 2.333 . . . . 0.0 113.568 -172.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -115.48 0.63 13.43 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.983 0.42 . . . . 0.0 110.576 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.411 ' HA ' ' HD3' ' A' ' 980' ' ' PRO . 50.0 m -105.66 122.84 41.3 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.185 -174.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 979' ' ' SER . 47.3 Cg_exo -56.52 -36.7 97.95 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.212 2.608 . . . . 0.0 113.169 -177.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 23.2 t -64.94 -34.22 77.91 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.035 0.445 . . . . 0.0 110.316 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . 0.502 ' HB1' ' HA ' ' A' ' 973' ' ' SER . . . -73.8 -42.9 60.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.153 177.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . 0.486 ' HG3' HG11 ' A' ' 914' ' ' VAL . 0.0 OUTLIER -55.16 -51.59 66.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.146 177.541 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . 0.49 HD13 HD12 ' A' ' 987' ' ' ILE . 4.4 mm? -65.83 -23.26 66.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.751 -177.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.0 -41.65 99.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.349 . . . . 0.0 110.465 178.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . 0.617 ' HB2' ' OG ' ' A' ' 973' ' ' SER . 0.6 OUTLIER -71.4 -44.01 65.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.892 177.644 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . 0.49 HD12 HD13 ' A' ' 984' ' ' LEU . 67.1 mt -57.74 -48.22 84.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.066 -178.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -65.04 -44.69 88.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . 0.439 ' HB1' ' HA ' ' A' ' 966' ' ' LEU . . . -61.79 -40.94 96.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.291 -178.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.583 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 50.3 m -60.92 -50.18 74.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.082 -179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . 0.689 ' HA ' HD12 ' A' ' 994' ' ' LEU . 47.7 mt-30 -64.88 -39.99 94.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.827 -178.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 49.3 m -65.09 -35.4 81.02 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.905 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -71.14 -29.54 65.36 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.706 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.689 HD12 ' HA ' ' A' ' 991' ' ' GLN . 84.2 mt -59.62 -36.61 76.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.089 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.613 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 53.0 tt0 -57.17 -63.36 3.76 Favored Pre-proline 0 CA--C 1.542 0.659 0 CA-C-N 115.967 -0.56 . . . . 0.0 112.151 -176.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.749 ' HG3' ' HG3' ' A' ' 962' ' ' GLN . 72.5 Cg_endo -76.25 -27.04 8.41 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 121.575 1.516 . . . . 0.0 112.213 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.37 -49.71 75.62 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.942 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.74 -30.3 74.54 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 121.003 -0.617 . . . . 0.0 112.204 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 63.4 mttm -62.79 -43.59 98.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.668 0.271 . . . . 0.0 110.679 178.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . 0.492 ' HE1' ' HB ' ' A' ' 931' ' ' THR . 43.4 ttp -72.94 -30.26 63.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.349 -177.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 997' ' ' GLY . 65.7 t -61.24 -46.66 96.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.14 0.495 . . . . 0.0 109.987 174.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -68.54 -45.07 73.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.77 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -60.23 -41.05 92.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.041 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.636 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.11 -52.09 67.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.64 179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -60.45 -38.67 84.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.244 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -81.65 -19.53 41.51 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.154 0.427 . . . . 0.0 112.154 -175.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . 0.489 ' O ' HG13 ' A' 1011 ' ' ILE . 8.7 t -88.6 -20.85 24.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.809 0.337 . . . . 0.0 110.465 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.835 HG13 ' HB1' ' A' 1017 ' ' ALA . 54.3 t -50.3 -53.14 47.82 Favored Pre-proline 0 CA--C 1.545 0.771 0 CA-C-N 116.27 -0.423 . . . . 0.0 112.076 177.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -73.31 -16.98 24.58 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 121.965 1.777 . . . . 0.0 113.896 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' ' 945' ' ' SER . 35.2 p -90.88 -31.29 16.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.881 0.372 . . . . 0.0 111.46 -178.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.728 ' HA ' ' HB2' ' A' ' 941' ' ' ALA . 87.0 mt -62.31 -45.51 98.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.051 0.453 . . . . 0.0 110.687 177.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 60.11 28.16 17.69 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.935 176.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' 1014 ' ' GLN . 17.6 t70 -95.5 -14.64 23.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.378 0.609 . . . . 0.0 110.07 177.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.523 ' O ' ' HG3' ' A' 1018 ' ' MET . 27.1 mt-30 69.52 -71.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.611 -1.177 . . . . 0.0 111.341 -177.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -59.91 -53.59 56.13 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.041 0.385 . . . . 0.0 112.041 -173.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 15.0 m -63.16 -35.64 80.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.193 0.521 . . . . 0.0 110.657 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.835 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -69.3 -36.34 76.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.367 -178.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . 0.523 ' HG3' ' O ' ' A' 1014 ' ' GLN . 67.6 mtt -65.51 -32.28 73.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.052 0.453 . . . . 0.0 110.232 177.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -65.55 -43.36 90.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.802 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 11.9 mt -59.06 -45.26 91.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.261 175.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 12.6 t -61.87 -37.95 86.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.697 -177.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -68.07 -44.75 75.61 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.929 0.395 . . . . 0.0 110.652 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . 0.412 ' HB3' ' OG1' ' A' ' 931' ' ' THR . 70.3 m -64.3 -45.41 88.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -178.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.9 -29.71 70.67 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.963 0.411 . . . . 0.0 111.125 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -61.9 -48.87 78.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.153 177.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -70.33 -52.14 24.88 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.979 -179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' 1031 ' ' LEU . 55.3 tp -56.98 -44.89 83.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.37 -176.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -57.82 -46.27 92.55 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.986 -0.626 . . . . 0.0 112.786 -178.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 10.5 m -80.08 -25.8 39.87 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.878 0.371 . . . . 0.0 111.183 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -64.45 -45.31 88.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 175.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' 1027 ' ' LEU . 89.4 mt -66.39 -31.86 72.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.756 177.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.23 -55.7 31.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.577 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -81.68 -17.47 47.86 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.299 -0.56 . . . . 0.0 110.913 -178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 64.2 tp -62.19 -42.66 99.49 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 172.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -62.74 -42.84 99.86 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.351 174.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 17.4 m -62.06 -45.01 95.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.195 179.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -66.72 -43.84 83.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.16 77.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.977 0.418 . . . . 0.0 110.671 178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.82 -57.35 13.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.34 176.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . 0.498 ' HA ' ' HG2' ' A' 1043 ' ' GLU . 86.1 mttt -63.15 -32.69 74.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.446 -176.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -69.01 -30.14 68.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.868 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -78.05 -40.03 40.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.689 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . 0.498 ' HG2' ' HA ' ' A' 1040 ' ' LYS . 5.1 pt-20 -76.88 -8.22 56.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.448 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.666 -0.683 . . . . 0.0 110.667 179.81 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.981 -0.448 . . . . 0.0 111.981 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 62.8 mt 69.3 99.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 121.078 0.466 . . . . 0.0 110.574 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -93.54 121.27 65.22 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.75 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -75.31 88.5 1.26 Allowed 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.604 2.203 . . . . 0.0 112.382 -178.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -76.65 -80.85 0.09 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 174.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . 0.526 ' OG1' ' HG2' ' A' ' 915' ' ' GLN . 75.2 p -137.66 175.16 9.84 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 173.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 82.2 mt -78.26 -24.58 46.81 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 121.073 0.463 . . . . 0.0 109.857 178.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . 0.655 HG23 HE21 ' A' ' 915' ' ' GLN . 20.0 m -87.58 -27.39 5.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.986 -177.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . 0.655 HE21 HG23 ' A' ' 914' ' ' VAL . 13.4 mm-40 -68.45 -41.84 79.66 Favored 'General case' 0 CA--C 1.518 -0.251 0 C-N-CA 120.637 -0.425 . . . . 0.0 111.144 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -67.56 -27.68 67.15 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 1.3 tt -68.64 -52.09 35.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.112 175.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -53.81 -40.15 66.1 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.095 176.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -62.11 -50.38 72.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.277 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . 0.553 ' HA ' HE21 ' A' ' 923' ' ' GLN . . . -67.45 -42.66 82.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.2 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -58.74 -48.07 82.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.133 0.42 . . . . 0.0 112.133 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -67.57 -42.39 82.64 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.351 -176.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . 0.553 HE21 ' HA ' ' A' ' 920' ' ' ALA . 28.4 pt20 -73.64 -29.14 62.16 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.746 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.56 -45.46 83.25 Favored 'General case' 0 CA--C 1.518 -0.267 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 174.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.73 81.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.316 175.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -64.56 -52.27 58.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.194 178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 60.2 m -63.03 -35.79 81.41 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.861 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . 0.562 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -59.87 -49.66 76.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.183 175.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 25.3 m -57.46 -43.21 83.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.623 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -60.74 -47.84 84.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.617 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . 0.411 ' OG1' ' HB3' ' A' 1023 ' ' CYS . 19.0 m -62.78 -42.06 99.53 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.87 -178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.62 HD12 HD11 ' A' ' 963' ' ' ILE . 72.1 mt -65.25 -45.27 94.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.719 0.295 . . . . 0.0 111.296 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.37 92.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.599 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -66.61 -40.4 88.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.494 177.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.497 ' HB1' ' HG ' ' A' ' 952' ' ' LEU . . . -56.87 -56.67 18.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.527 -178.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -71.08 -18.17 62.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.88 -175.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -87.22 -35.44 18.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.776 0.322 . . . . 0.0 110.68 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . 0.707 ' HB2' ' HB3' ' A' 1016 ' ' SER . . . -87.5 -39.17 15.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.927 -175.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . 0.642 ' HB1' ' HG2' ' A' ' 950' ' ' PRO . . . -70.14 -18.61 63.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.982 0.42 . . . . 0.0 111.367 -177.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 70.3 m -81.77 78.14 8.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.243 0.544 . . . . 0.0 110.871 178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -99.38 110.12 57.26 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.755 175.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . 0.649 ' HA ' ' O ' ' A' ' 946' ' ' ALA . 38.8 Cg_exo -59.22 112.49 1.25 Allowed 'Trans proline' 0 CA--C 1.511 -0.628 0 C-N-CA 122.703 2.268 . . . . 0.0 112.279 -177.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -167.81 115.12 0.73 Allowed 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.016 -175.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . 53.85 84.78 0.06 Allowed 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.912 0.758 . . . . 0.0 112.163 176.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 16.8 t 64.21 84.2 0.15 Allowed 'General case' 0 C--O 1.235 0.335 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.736 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.649 ' O ' ' HA ' ' A' ' 942' ' ' PRO . . . 70.13 -72.54 0.11 Allowed 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.927 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 172.97 -169.11 42.26 Favored Glycine 0 N--CA 1.445 -0.711 0 N-CA-C 111.264 -0.734 . . . . 0.0 111.264 -176.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.524 ' O ' ' HD3' ' A' ' 950' ' ' PRO . 92.8 Cg_endo -82.36 166.02 16.23 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.538 2.158 . . . . 0.0 112.662 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -109.77 85.33 3.89 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.644 175.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . 0.642 ' HG2' ' HB1' ' A' ' 939' ' ' ALA . 2.6 Cg_endo -81.25 158.51 20.07 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.989 2.46 . . . . 0.0 112.913 -173.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 6.5 mp -72.09 -23.82 61.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.934 177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . 0.497 ' HG ' ' HB1' ' A' ' 935' ' ' ALA . 42.0 tp -55.63 -45.6 77.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.109 177.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . 0.73 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 53.2 t -65.25 -39.57 85.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -60.39 -41.09 93.12 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 48.8 m -72.09 -47.44 51.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.183 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . 0.73 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 22.3 p -65.61 -25.91 67.6 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.982 0.42 . . . . 0.0 110.652 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 953' ' ' VAL . 19.6 tptp -62.64 -46.14 89.6 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.929 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -66.47 -52.29 47.82 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.409 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 963' ' ' ILE . 60.7 t -55.35 -39.25 51.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.365 -178.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -58.44 -27.1 64.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.528 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -81.64 -35.25 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.88 0.372 . . . . 0.0 110.75 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . 0.532 ' HA ' HD12 ' A' ' 965' ' ' LEU . 1.8 mp0 -76.51 -17.95 58.99 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.62 HD11 HD12 ' A' ' 932' ' ' ILE . 72.3 mt -56.31 -57.0 25.57 Favored Pre-proline 0 N--CA 1.47 0.543 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -179.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.6 Cg_endo -60.1 -31.81 93.84 Favored 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.987 1.791 . . . . 0.0 111.917 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 962' ' ' GLN . 97.9 mt -63.0 -42.47 99.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.537 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 970' ' ' VAL . 57.9 mt -60.0 -59.28 5.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.617 175.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . 0.489 ' O ' ' HG2' ' A' ' 971' ' ' ARG . 52.2 t -60.63 -42.74 92.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.749 -173.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -69.73 -30.29 67.87 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.627 177.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.24 -42.21 97.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.462 -0.875 . . . . 0.0 110.933 171.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 966' ' ' LEU . 41.3 t -60.83 -42.62 93.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.949 0.404 . . . . 0.0 109.913 174.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 967' ' ' VAL . 27.5 mmt180 -60.62 -37.57 81.89 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -65.98 -40.36 95.24 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 111.599 175.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . 0.422 ' HB2' HD12 ' A' ' 986' ' ' LEU . 47.4 t -62.57 -43.33 99.07 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.861 0.362 . . . . 0.0 110.77 177.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.565 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 87.3 mt-30 -65.3 -22.81 66.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.069 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -78.47 -47.16 18.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.494 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -134.36 88.82 29.04 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.609 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.584 ' HA ' ' NE2' ' A' ' 983' ' ' GLN . 48.1 Cg_endo -69.75 -23.47 30.79 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.991 2.46 . . . . 0.0 113.002 -177.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -93.52 -35.14 13.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.65 0.262 . . . . 0.0 110.899 -176.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.441 ' HA ' ' HD2' ' A' ' 980' ' ' PRO . 46.6 t -67.82 119.13 64.26 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.997 0.427 . . . . 0.0 111.192 -176.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 979' ' ' SER . 24.7 Cg_endo -62.61 -29.37 77.89 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.869 2.38 . . . . 0.0 111.546 176.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 3.9 m -61.95 -35.9 79.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.766 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -81.38 -42.71 20.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.68 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . 0.584 ' NE2' ' HA ' ' A' ' 977' ' ' PRO . 81.1 mm-40 -63.82 -39.73 94.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.272 -179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 980' ' ' PRO . 15.2 tp -57.2 -32.9 66.95 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.328 -177.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.72 99.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . 0.422 HD12 ' HB2' ' A' ' 973' ' ' SER . 0.7 OUTLIER -70.39 -47.37 61.16 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.354 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' A' 1042 ' ' GLN . 78.5 mt -57.28 -46.64 85.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.09 -178.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.92 82.57 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.855 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.02 84.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.976 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.641 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 44.1 m -60.74 -46.98 88.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.804 179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . 0.576 ' HA ' HD12 ' A' ' 994' ' ' LEU . 47.0 mt-30 -66.42 -38.73 88.11 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.069 0.462 . . . . 0.0 110.817 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 29.0 t -74.87 -6.72 50.67 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.58 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.562 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 91.6 t80 -98.12 -29.95 12.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.043 0.449 . . . . 0.0 109.974 176.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 990' ' ' SER . 81.2 mt -58.42 -42.44 87.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.268 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.807 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 24.0 tp60 -63.48 -60.0 10.46 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.03 -177.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.807 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 18.5 Cg_exo -66.97 -39.97 12.91 Favored 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 122.025 1.817 . . . . 0.0 111.976 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.45 ' O ' HG23 ' A' 1001 ' ' VAL . . . -61.92 -43.47 99.14 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.073 -0.584 . . . . 0.0 112.348 -178.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.68 -37.86 94.17 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.098 -0.572 . . . . 0.0 112.058 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -70.97 -29.03 64.91 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 121.399 -0.12 . . . . 0.0 111.191 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . 0.588 ' SD ' ' HA ' ' A' ' 956' ' ' CYS . 50.3 ttp -72.96 -33.59 65.98 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 997' ' ' GLY . 75.9 t -60.52 -47.64 91.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.77 174.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -62.57 -51.56 66.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.964 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -60.98 -38.99 87.91 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.61 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.571 ' O ' HG23 ' A' 1008 ' ' VAL . . . -62.96 -53.23 57.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.737 179.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.29 -35.1 76.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.379 -178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -76.65 -20.6 56.49 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.102 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . 0.444 ' O ' HG13 ' A' 1011 ' ' ILE . 24.9 t -87.95 -23.29 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.494 179.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' 1004 ' ' ALA . 77.5 t -51.1 -50.65 74.12 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' 1008 ' ' VAL . 36.0 Cg_endo -67.05 -24.78 44.72 Favored 'Trans proline' 0 C--N 1.354 0.863 0 C-N-CA 121.921 1.747 . . . . 0.0 113.272 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 74.6 p -84.1 -5.1 59.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.37 0.605 . . . . 0.0 110.603 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.673 HD13 ' HB1' ' A' ' 938' ' ' ALA . 86.5 mt -99.5 133.39 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.661 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -111.56 23.25 14.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.236 0.541 . . . . 0.0 110.945 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . 0.643 ' H ' HG22 ' A' 1011 ' ' ILE . 31.6 t70 -111.4 109.54 19.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.124 170.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -55.78 -44.63 77.9 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.159 -173.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -59.26 -50.59 73.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.731 0.301 . . . . 0.0 111.193 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . 0.707 ' HB3' ' HB2' ' A' ' 938' ' ' ALA . 22.6 m -66.49 -41.33 89.09 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.085 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.49 -49.99 74.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.273 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . 0.431 ' HA ' ' CE ' ' A' 1018 ' ' MET . 20.5 mmt -68.15 -36.32 79.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.667 -178.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -59.47 -50.51 73.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.343 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.01 -42.13 93.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.297 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 38.0 m -59.13 -42.8 91.49 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.836 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.96 -46.96 40.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.615 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . 0.411 ' HB3' ' OG1' ' A' ' 931' ' ' THR . 84.5 m -57.71 -50.82 71.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.266 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -65.72 -34.26 77.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.869 0.366 . . . . 0.0 111.001 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -63.89 -45.82 87.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.179 0.514 . . . . 0.0 110.392 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -72.8 -37.61 67.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.492 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . 0.417 ' O ' ' HG ' ' A' 1031 ' ' LEU . 55.8 tp -59.72 -38.11 80.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.52 177.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.0 -46.59 93.5 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 121.065 -0.588 . . . . 0.0 112.318 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 37.1 m -72.17 -33.81 67.99 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.892 0.377 . . . . 0.0 110.774 178.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -57.55 -46.2 84.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.825 175.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' 1027 ' ' LEU . 96.3 mt -65.59 -34.6 78.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.764 176.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -59.71 -59.22 5.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.453 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -76.76 -19.46 57.6 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.554 -0.459 . . . . 0.0 111.193 -177.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 60.8 tp -64.61 -50.06 68.66 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 172.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -62.1 -42.02 98.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.088 177.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 38.4 m -59.57 -45.87 90.59 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.079 179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -68.68 -50.73 48.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.068 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -56.75 -44.44 81.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.414 -178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -55.93 -54.07 49.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.995 0.426 . . . . 0.0 111.411 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -73.84 -15.81 61.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.86 -174.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -91.25 -30.72 16.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.926 0.394 . . . . 0.0 110.693 176.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . 0.452 ' HA ' HD13 ' A' ' 987' ' ' ILE . 63.8 tt0 -62.89 -41.88 99.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.873 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -91.07 8.11 37.14 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.494 -177.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.71 -178.552 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . 0.424 ' N ' HD13 ' A' ' 908' ' ' ILE . 0.2 OUTLIER -131.73 136.73 56.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.212 0.529 . . . . 0.0 110.561 178.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -107.43 129.34 24.4 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.62 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -80.51 12.83 2.43 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.872 2.381 . . . . 0.0 113.229 -176.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 53.38 97.79 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.193 0.997 . . . . 0.0 111.941 -178.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . 0.531 ' O ' ' HG3' ' A' ' 916' ' ' ARG . 21.5 p -63.89 161.36 15.72 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.231 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' A' 1044 ' ' ALA . 89.1 mt -60.66 -43.86 97.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.281 -175.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . 0.532 ' O ' ' HG3' ' A' ' 918' ' ' GLU . 35.6 m -70.58 -30.52 42.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.153 177.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -63.99 -36.28 83.46 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.482 0.658 . . . . 0.0 110.033 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 912' ' ' THR . 55.1 mtt180 -68.96 -34.22 74.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.92 177.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . 0.551 HD11 ' HA ' ' A' 1038 ' ' ALA . 20.2 mt -62.56 -47.32 84.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.025 174.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.532 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 66.0 mt-10 -49.26 -58.02 5.78 Favored 'General case' 0 C--N 1.332 -0.157 0 O-C-N 123.633 0.583 . . . . 0.0 110.64 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 59.1 m80 -69.25 -34.76 75.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.532 -175.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . 0.4 ' HA ' ' HG2' ' A' ' 923' ' ' GLN . . . -70.31 -41.27 73.52 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.259 -178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.09 79.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . 0.529 ' CG ' HG11 ' A' ' 970' ' ' VAL . 54.6 mtpt -66.44 -46.07 77.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.772 178.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . 0.4 ' HG2' ' HA ' ' A' ' 920' ' ' ALA . 11.2 pt20 -71.13 -31.19 67.42 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.371 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.93 -47.25 75.33 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 175.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . 0.453 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.22 -41.08 87.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.54 176.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.95 -53.94 42.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.985 177.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 39.5 m -60.6 -36.1 77.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.87 -178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . 0.621 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -62.23 -48.52 79.62 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.274 176.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 26.6 m -59.57 -42.06 91.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.475 178.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -63.28 -44.37 95.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.093 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 26.6 m -65.4 -40.88 93.96 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.356 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.601 HG23 ' SG ' ' A' ' 956' ' ' CYS . 45.6 mt -58.3 -49.39 82.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.61 175.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -57.41 -42.78 82.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.189 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -71.64 -36.31 70.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.935 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.525 ' O ' ' HB3' ' A' ' 939' ' ' ALA . . . -64.7 -35.77 82.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.699 -178.319 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . 0.55 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 13.4 pt20 -101.66 23.67 10.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.758 0.313 . . . . 0.0 111.343 -179.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -141.26 -67.18 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.014 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . 0.767 ' HB1' ' HB3' ' A' 1016 ' ' SER . . . -83.56 -30.66 26.85 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.45 -175.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 935' ' ' ALA . . . -65.95 98.28 0.41 Allowed 'General case' 0 CA--C 1.512 -0.493 0 CA-C-O 121.615 0.721 . . . . 0.0 110.983 -178.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.724 ' H ' HG12 ' A' 1011 ' ' ILE . 8.1 t -107.01 164.02 12.49 Favored 'General case' 0 N--CA 1.437 -1.112 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.848 176.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . 0.697 ' HA ' ' HB ' ' A' 1010 ' ' THR . . . -147.6 149.09 32.91 Favored Pre-proline 0 C--N 1.311 -1.073 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.711 178.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . 0.699 ' HB3' ' HB2' ' A' ' 945' ' ' SER . 49.0 Cg_exo -56.37 102.89 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.573 2.182 . . . . 0.0 111.511 177.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 28.5 mtpp -49.87 -47.52 51.83 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 124.012 0.82 . . . . 0.0 112.602 -173.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -117.15 -25.88 6.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.742 0.306 . . . . 0.0 111.374 -177.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . 0.699 ' HB2' ' HB3' ' A' ' 942' ' ' PRO . 16.7 m -64.5 -28.6 69.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.828 -177.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -145.56 -50.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 111.076 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 137.67 134.85 3.29 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.778 -178.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.643 ' HA ' ' HB3' ' A' ' 941' ' ' ALA . 87.1 Cg_endo -81.81 179.22 5.83 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.755 2.304 . . . . 0.0 112.251 178.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 19.3 mp0 55.02 79.0 0.36 Allowed Pre-proline 0 N--CA 1.466 0.344 0 C-N-CA 123.052 0.541 . . . . 0.0 111.542 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . 0.403 ' C ' ' H ' ' A' ' 952' ' ' LEU . 5.2 Cg_exo -79.69 51.39 3.87 Favored 'Trans proline' 0 CA--C 1.529 0.228 0 C-N-CA 123.394 2.73 . . . . 0.0 111.906 179.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.2 mm? 70.86 -16.89 0.32 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.639 0.776 . . . . 0.0 112.376 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . 0.403 ' H ' ' C ' ' A' ' 950' ' ' PRO . 23.9 mt -51.28 -43.3 61.57 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 52.5 t -59.46 -36.63 65.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.062 0.458 . . . . 0.0 110.924 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . 0.545 ' HA ' ' HE2' ' A' ' 957' ' ' LYS . 53.2 mm-40 -77.42 -47.45 19.75 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.318 -177.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 8.7 m -63.06 -37.1 85.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.731 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . 0.601 ' SG ' HG23 ' A' ' 932' ' ' ILE . 42.3 t -56.39 -43.68 79.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.073 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.545 ' HE2' ' HA ' ' A' ' 954' ' ' GLN . 52.9 mtmt -61.9 -41.2 97.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.763 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -64.02 -46.8 82.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.448 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.523 ' O ' HG13 ' A' ' 963' ' ' ILE . 83.2 t -63.91 -41.49 92.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.81 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -58.5 -27.46 64.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.085 -0.507 . . . . 0.0 112.175 -177.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 41.5 mm-40 -87.2 -22.16 25.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.834 0.349 . . . . 0.0 111.059 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . 0.707 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 86.0 mm-40 -90.4 -26.72 19.75 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.61 -176.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.523 HG13 ' O ' ' A' ' 959' ' ' VAL . 82.6 mt -54.31 -54.11 51.72 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 178.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.469 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.1 Cg_endo -59.76 -30.98 93.33 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.028 1.818 . . . . 0.0 112.262 178.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 70.1 mt -68.42 -36.55 79.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.591 179.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.639 ' O ' HG23 ' A' ' 970' ' ' VAL . 87.5 mt -61.18 -60.6 3.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.103 0.478 . . . . 0.0 109.997 173.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 43.6 t -58.5 -41.79 82.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.737 -174.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -60.04 -45.97 91.06 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 177.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -62.94 -43.04 99.49 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.04 177.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.639 HG23 ' O ' ' A' ' 966' ' ' LEU . 61.1 t -56.97 -51.92 62.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.862 0.363 . . . . 0.0 110.605 177.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -60.71 -33.98 73.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.673 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.21 -42.13 99.72 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.877 -0.677 . . . . 0.0 111.898 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 35.8 t -74.15 -39.21 63.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.788 0.328 . . . . 0.0 110.834 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -64.2 -25.95 68.3 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.288 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . 0.402 ' O ' ' HD3' ' A' ' 977' ' ' PRO . . . -95.05 -46.91 6.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.919 178.162 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . 0.485 ' HB3' ' OG ' ' A' ' 979' ' ' SER . 29.4 mt-30 -108.45 96.95 20.59 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.904 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 975' ' ' ALA . 89.2 Cg_endo -90.79 13.74 2.12 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 122.764 2.309 . . . . 0.0 114.312 -172.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -143.18 -32.96 0.45 Allowed 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.173 -0.611 . . . . 0.0 112.513 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.485 ' OG ' ' HB3' ' A' ' 976' ' ' GLN . 10.1 p -66.43 116.68 36.48 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.746 0.308 . . . . 0.0 111.211 -178.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.97 -33.76 73.95 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.195 2.596 . . . . 0.0 112.998 -175.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 2.5 p -61.24 -24.63 66.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.769 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -80.11 -52.86 7.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.926 0.393 . . . . 0.0 110.666 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . 0.478 ' O ' HG13 ' A' ' 987' ' ' ILE . 22.2 mp0 -65.48 -44.63 86.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.571 -178.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.97 -24.3 67.67 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.494 0.188 . . . . 0.0 111.266 -178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -69.24 -45.85 68.75 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.067 0.461 . . . . 0.0 109.921 174.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 917' ' ' LEU . 4.1 tt -63.77 -50.64 68.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.771 178.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 983' ' ' GLN . 71.3 mt -57.83 -44.35 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.245 -177.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -66.03 -44.08 85.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.765 179.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -63.38 -35.6 80.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.077 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.579 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.6 m -58.87 -52.08 67.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.878 179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . 0.661 ' HA ' HD12 ' A' ' 994' ' ' LEU . 70.8 mt-30 -66.4 -37.33 85.01 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.315 0.578 . . . . 0.0 110.257 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 42.7 t -65.26 -25.58 67.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.826 179.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.621 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 87.3 t80 -87.61 -30.05 20.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.661 HD12 ' HA ' ' A' ' 991' ' ' GLN . 98.1 mt -53.11 -48.65 67.68 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.625 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.743 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 20.8 tp60 -62.02 -58.65 16.53 Favored Pre-proline 0 CA--C 1.54 0.572 0 N-CA-C 112.051 0.389 . . . . 0.0 112.051 -177.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.743 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 52.4 Cg_exo -57.09 -41.03 79.0 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.123 1.882 . . . . 0.0 112.174 177.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.532 ' O ' HG23 ' A' 1001 ' ' VAL . . . -59.37 -50.41 68.09 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.935 -0.65 . . . . 0.0 111.86 178.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.65 -35.36 89.33 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.185 -0.531 . . . . 0.0 112.344 178.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . 0.454 ' HG3' HE21 ' A' ' 995' ' ' GLN . 96.5 mttt -63.23 -39.13 93.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.569 0.223 . . . . 0.0 110.863 177.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 50.2 ttp -76.27 -31.07 58.08 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.126 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 997' ' ' GLY . 99.1 t -60.46 -50.01 82.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 120.91 0.386 . . . . 0.0 110.007 174.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.71 92.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.977 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.36 90.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.019 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' 1008 ' ' VAL . . . -63.89 -46.66 83.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.739 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.6 mttt -60.68 -33.5 72.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -77.76 -20.62 53.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.066 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . 0.572 ' O ' HG13 ' A' 1011 ' ' ILE . 36.5 t -92.42 -14.19 28.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.999 179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' 1004 ' ' ALA . 73.5 t -56.41 -52.19 75.11 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 111.876 0.324 . . . . 0.0 111.876 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' 1008 ' ' VAL . 48.7 Cg_endo -68.92 -18.0 41.22 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 121.758 1.639 . . . . 0.0 113.395 -178.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . 0.697 ' HB ' ' HA ' ' A' ' 941' ' ' ALA . 49.0 p -85.27 -14.17 47.47 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.67 -0.412 . . . . 0.0 111.024 -178.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.724 HG12 ' H ' ' A' ' 940' ' ' SER . 63.1 mt -77.2 125.07 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.943 176.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -74.67 -31.3 61.88 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -75.26 97.35 3.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.418 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.409 ' O ' ' HG3' ' A' 1018 ' ' MET . 76.0 mt-30 -60.56 -39.56 88.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.981 -172.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.66 91.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . 0.767 ' HB3' ' HB1' ' A' ' 938' ' ' ALA . 37.4 m -68.08 -29.17 68.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.582 ' HA ' HD12 ' A' 1011 ' ' ILE . . . -65.98 -45.12 82.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.074 0.464 . . . . 0.0 110.211 175.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' 1014 ' ' GLN . 64.3 mtt -64.41 -34.14 77.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.076 176.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -61.18 -53.66 54.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.452 175.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.63 -42.72 88.9 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 39.5 t -59.74 -42.23 92.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.519 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -68.63 -40.09 80.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.939 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 80.2 m -57.76 -52.73 64.26 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.541 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . 0.4 ' HB1' HG13 ' A' 1001 ' ' VAL . . . -65.06 -37.41 87.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.158 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -60.95 -46.05 92.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.557 179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -69.55 -38.31 77.41 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.656 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . 0.416 ' O ' ' HG ' ' A' 1031 ' ' LEU . 55.9 tp -58.78 -37.95 77.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.118 175.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.48 -40.74 96.59 Favored Glycine 0 N--CA 1.451 -0.305 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.396 176.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 74.7 m -73.37 -35.98 66.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.97 0.414 . . . . 0.0 110.531 177.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.28 89.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.031 175.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . 0.495 HD22 ' HA ' ' A' ' 994' ' ' LEU . 88.6 mt -68.08 -36.55 80.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.561 175.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.32 -61.84 2.13 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.865 -176.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -68.19 -30.13 69.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.012 -176.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 52.7 tp -65.09 -47.43 77.27 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.112 0.482 . . . . 0.0 110.192 177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -58.35 -47.94 82.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.458 178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 35.9 m -64.42 -44.07 92.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.446 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.0 96.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.902 -179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . 0.551 ' HA ' HD11 ' A' ' 917' ' ' LEU . . . -63.06 -39.49 94.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.826 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -60.94 -47.95 84.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.126 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.76 -46.3 69.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.241 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -65.17 -36.55 84.58 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.174 0.435 . . . . 0.0 112.174 -174.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . 0.443 ' HB2' HG21 ' A' ' 987' ' ' ILE . 63.8 tt0 -68.77 -21.92 64.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.714 0.292 . . . . 0.0 111.104 -176.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -107.2 12.95 27.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.966 0.412 . . . . 0.0 110.869 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . 0.526 ' HB2' HD12 ' A' ' 913' ' ' LEU . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.737 -0.649 . . . . 0.0 110.578 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 111.958 -0.457 . . . . 0.0 111.958 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 10.1 mt 54.24 41.32 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-O 121.706 0.765 . . . . 0.0 109.75 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -72.75 115.34 38.92 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.413 -172.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -90.03 14.28 2.14 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 123.101 2.534 . . . . 0.0 112.218 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -81.8 -72.81 0.42 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.494 -177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 48.0 p -131.5 175.56 9.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.157 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 41.8 mt -81.83 -25.6 35.01 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.881 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . 0.481 HG11 ' HB2' ' A' ' 983' ' ' GLN . 6.7 m -81.16 -23.7 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.084 -176.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.12 -32.12 73.43 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.696 0.76 . . . . 0.0 109.777 173.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -66.06 -37.54 86.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.208 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . 0.624 ' HB3' HD22 ' A' ' 986' ' ' LEU . 95.1 mt -64.23 -36.07 82.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.13 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -55.2 -48.55 73.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.129 0.49 . . . . 0.0 110.744 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -75.95 -43.87 42.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.743 -178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . 0.47 ' HA ' ' HG2' ' A' ' 923' ' ' GLN . . . -63.4 -38.91 92.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.783 -176.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.32 87.6 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.737 0.304 . . . . 0.0 111.113 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -69.95 -41.71 74.16 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.955 -0.298 . . . . 0.0 111.291 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . 0.47 ' HG2' ' HA ' ' A' ' 920' ' ' ALA . 19.1 pt20 -70.37 -31.05 68.15 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.722 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -71.01 -45.19 64.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.999 0.428 . . . . 0.0 110.035 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . 0.546 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.92 -33.22 71.58 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.735 177.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -74.61 -55.39 5.96 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.295 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 19.8 p -62.47 -34.99 77.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 111.478 -176.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . 0.58 ' HB1' HG11 ' A' ' 959' ' ' VAL . . . -59.21 -44.62 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.772 177.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 38.8 m -62.0 -41.32 97.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.543 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -63.03 -42.75 99.84 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.246 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 27.9 m -65.57 -37.91 88.04 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.9 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.548 ' O ' ' HG2' ' A' ' 936' ' ' GLN . 78.3 mt -61.51 -49.12 85.73 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 120.883 0.373 . . . . 0.0 110.279 175.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -57.3 -41.73 80.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.536 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -66.79 -49.76 64.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.863 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.607 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -54.66 -57.31 11.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.367 -175.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 26.4 pt20 -73.64 -11.08 60.3 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -173.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -102.51 -31.49 10.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.881 0.372 . . . . 0.0 111.153 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . 0.628 ' HB1' HD13 ' A' 1011 ' ' ILE . . . -76.12 -41.35 50.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.091 0.472 . . . . 0.0 110.112 176.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -125.9 83.46 2.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.099 176.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 16.2 m -83.25 -43.6 15.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.927 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -161.56 120.0 1.44 Allowed Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.085 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . 0.466 ' HB2' ' HB2' ' A' ' 945' ' ' SER . 22.5 Cg_exo -65.04 98.06 0.3 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.724 2.283 . . . . 0.0 111.214 176.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -80.82 1.11 32.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.126 -172.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -121.16 14.06 11.31 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.077 0.465 . . . . 0.0 110.318 177.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . 0.466 ' HB2' ' HB2' ' A' ' 942' ' ' PRO . 13.0 m -132.51 158.87 41.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.922 -178.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -93.06 -41.42 9.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.939 0.4 . . . . 0.0 110.974 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . -176.18 77.32 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.305 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -87.01 -169.78 0.54 Allowed 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 123.047 2.498 . . . . 0.0 111.676 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 949' ' ' GLN . 7.6 pt20 -113.22 95.07 33.74 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 121.109 0.48 . . . . 0.0 110.691 177.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . 0.456 ' C ' ' H ' ' A' ' 952' ' ' LEU . 3.2 Cg_exo -77.71 -36.61 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.555 2.17 . . . . 0.0 111.997 177.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 951' ' ' LEU . 3.1 mm? 68.9 -30.14 0.18 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.599 0.76 . . . . 0.0 112.57 -179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . 0.657 HD21 ' HA ' ' A' 1004 ' ' ALA . 76.5 mt -47.3 -60.82 2.23 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 122.93 0.492 . . . . 0.0 112.319 -178.144 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 43.3 t -51.74 -42.93 32.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.892 0.377 . . . . 0.0 111.486 -177.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -71.61 -39.23 70.62 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.653 -177.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 15.7 m -70.42 -39.89 74.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.766 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 99.5 m -61.84 -35.7 79.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.189 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 961' ' ' GLU . 98.8 mttt -66.96 -40.89 87.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.83 0.347 . . . . 0.0 110.52 176.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.83 -48.25 66.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.864 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.58 HG11 ' HB1' ' A' ' 928' ' ' ALA . 89.8 t -60.97 -38.8 80.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.817 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -62.84 -20.96 65.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.754 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 42.1 mt-10 -83.94 -26.99 28.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.077 0.465 . . . . 0.0 110.338 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . 0.709 ' HG3' ' HG3' ' A' ' 996' ' ' PRO . 11.2 mm100 -91.99 -26.92 18.16 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.563 -172.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.694 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 86.6 mt -54.59 -53.44 60.11 Favored Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.743 177.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.694 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 36.9 Cg_exo -59.09 -35.69 97.6 Favored 'Trans proline' 0 C--N 1.354 0.824 0 C-N-CA 122.096 1.864 . . . . 0.0 111.895 176.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 73.6 mt -64.29 -40.3 95.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.717 179.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 970' ' ' VAL . 55.0 mt -56.79 -61.75 2.22 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.186 174.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 57.7 t -60.68 -36.63 71.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.304 -175.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -62.03 -43.84 97.98 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 175.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.9 -43.46 96.0 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.987 175.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 966' ' ' LEU . 43.8 t -57.2 -55.7 19.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.746 0.307 . . . . 0.0 110.25 177.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -60.15 -37.97 81.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.448 -179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.7 -39.98 98.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.814 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 15.3 m -77.0 -16.41 59.33 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.815 0.34 . . . . 0.0 110.876 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.571 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 25.9 mt-30 -84.38 -44.08 14.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.004 0.431 . . . . 0.0 110.302 175.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -66.09 -33.36 75.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.977 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -97.01 104.65 19.62 Favored Pre-proline 0 C--N 1.321 -0.654 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 174.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.0 -61.14 0.63 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.046 2.497 . . . . 0.0 112.869 -175.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -138.11 81.07 1.84 Allowed 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.132 0.492 . . . . 0.0 109.675 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.413 ' HA ' ' HD2' ' A' ' 980' ' ' PRO . 29.8 t -120.18 122.71 28.7 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.471 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.603 ' HA ' ' HG2' ' A' ' 983' ' ' GLN . 23.0 Cg_endo -62.76 -30.68 78.3 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.453 2.102 . . . . 0.0 111.295 177.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 47.6 t -68.12 -40.56 82.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.206 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -70.08 -50.53 39.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.008 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . 0.603 ' HG2' ' HA ' ' A' ' 980' ' ' PRO . 20.4 pt20 -60.28 -38.54 83.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.219 -176.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . 0.422 HD13 HD12 ' A' ' 987' ' ' ILE . 3.2 mm? -66.26 -33.26 75.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.94 177.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -68.11 -34.66 76.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.138 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 917' ' ' LEU . 0.6 OUTLIER -64.91 -47.56 77.34 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 983' ' ' GLN . 67.5 mt -56.56 -47.55 81.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.295 177.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -56.04 -49.82 72.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.263 179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.88 -43.87 97.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.008 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.514 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 30.6 m -58.91 -50.63 73.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.13 -178.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . 0.657 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.7 mt-30 -65.11 -39.32 92.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.104 0.478 . . . . 0.0 110.969 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 55.0 m -69.49 -20.76 63.73 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.513 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.492 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 85.7 t80 -83.49 -28.58 28.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.943 0.402 . . . . 0.0 110.326 177.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.657 HD12 ' HA ' ' A' ' 991' ' ' GLN . 71.0 mt -60.82 -37.65 82.72 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.127 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.59 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 52.0 tp60 -56.28 -62.38 4.92 Favored Pre-proline 0 CA--C 1.541 0.608 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.003 -178.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.709 ' HG3' ' HG3' ' A' ' 962' ' ' GLN . 73.8 Cg_endo -76.39 -30.93 4.86 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.508 1.472 . . . . 0.0 112.492 179.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.462 ' O ' HG23 ' A' 1001 ' ' VAL . . . -64.64 -51.33 52.81 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.084 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -67.41 -20.88 71.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.996 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 9.6 ttmm -77.25 -35.67 55.19 Favored 'General case' 0 N--CA 1.437 -1.085 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 53.9 ttp -74.47 -27.42 60.58 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.154 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' ' 997' ' ' GLY . 77.0 t -60.07 -48.28 88.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.99 174.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -67.51 -42.21 83.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.48 178.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -57.19 -41.83 80.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.07 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.657 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -64.99 -49.22 71.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.78 179.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 68.8 mttm -59.53 -36.88 77.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.208 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -77.51 -19.3 56.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.468 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . 0.504 ' O ' HG13 ' A' 1011 ' ' ILE . 68.2 m -92.92 -15.48 26.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.725 -0.216 . . . . 0.0 111.481 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.562 HG13 ' HB1' ' A' 1017 ' ' ALA . 80.9 t -54.91 -51.69 77.13 Favored Pre-proline 0 CA--C 1.543 0.69 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . 0.44 ' HD2' ' N ' ' A' 1008 ' ' VAL . 41.1 Cg_endo -68.53 -17.23 43.46 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 121.991 1.794 . . . . 0.0 113.344 -178.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 46.9 p -88.4 -3.67 58.79 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.191 0.52 . . . . 0.0 111.09 -179.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.628 HD13 ' HB1' ' A' ' 938' ' ' ALA . 66.9 mt -95.83 132.58 39.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.585 176.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . 0.886 ' HA ' HE21 ' A' 1012 ' ' GLN . 0.0 OUTLIER -84.7 -37.02 21.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.838 0.352 . . . . 0.0 110.269 -179.078 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -69.91 110.64 5.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.928 178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -57.42 -38.58 74.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.357 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.99 98.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.306 . . . . 0.0 110.761 -178.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . 0.514 ' HB3' ' HA ' ' A' ' 938' ' ' ALA . 19.9 m -67.14 -39.77 86.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.053 0.454 . . . . 0.0 110.198 179.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.562 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -63.6 -42.84 98.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.586 178.087 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 87.2 mtp -68.61 -30.23 68.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.071 179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -65.34 -46.67 79.31 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.607 HD21 ' HA ' ' A' ' 935' ' ' ALA . 11.5 mt -62.96 -44.62 95.56 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.684 175.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 34.5 t -58.52 -36.46 73.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.864 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -74.25 -49.86 21.48 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . 0.809 ' HA ' ' ND2' ' A' 1026 ' ' ASN . 83.9 m -66.42 -42.79 87.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.758 -175.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.44 -31.63 72.84 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.103 0.477 . . . . 0.0 110.658 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -72.01 -40.61 68.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.099 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . 0.809 ' ND2' ' HA ' ' A' 1023 ' ' CYS . 7.6 p30 -81.07 -33.83 33.14 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.593 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 67.4 tp -64.56 -41.79 96.09 Favored 'General case' 0 C--O 1.231 0.105 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 175.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.51 -40.01 93.88 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.989 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 16.2 m -75.2 -32.82 61.31 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.98 0.419 . . . . 0.0 110.605 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -63.66 -45.05 91.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.247 0.546 . . . . 0.0 110.011 175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 89.6 mt -69.97 -30.13 67.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.673 177.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.54 -59.67 4.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.287 -179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -67.29 -35.47 79.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.077 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 63.7 tp -60.95 -48.08 83.47 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.06 0.457 . . . . 0.0 110.432 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -63.27 -46.02 88.78 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.674 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 93.5 m -61.54 -44.43 97.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.996 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.85 82.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.976 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.79 92.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.207 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . 0.514 ' O ' ' HG2' ' A' 1043 ' ' GLU . 10.1 tt0 -64.79 -44.69 89.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.195 178.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.33 -45.12 85.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.602 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -62.42 -33.6 75.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.914 -177.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . 0.483 ' NE2' HE22 ' A' ' 991' ' ' GLN . 8.2 tt0 -75.53 -45.18 39.58 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.057 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' 1039 ' ' GLN . 14.4 mm-40 -76.26 -12.48 60.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.816 0.341 . . . . 0.0 111.134 -176.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.596 -0.716 . . . . 0.0 110.93 -179.137 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.862 0 N-CA-C 111.904 -0.478 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 20.3 pt -109.95 118.52 57.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.325 0.583 . . . . 0.0 110.553 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 910' ' ' PRO . 27.7 t70 -146.4 140.3 15.21 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 -178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 909' ' ' ASP . 31.8 Cg_exo -57.77 92.66 0.06 OUTLIER 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.0 2.467 . . . . 0.0 111.77 178.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -81.21 -170.64 2.84 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.226 -0.897 . . . . 0.0 111.066 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 68.1 p -81.89 172.25 13.53 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.238 0.542 . . . . 0.0 111.573 -176.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 33.9 mt -75.76 -37.3 59.41 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.882 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . 0.416 ' HA ' HD12 ' A' ' 917' ' ' LEU . 27.2 m -69.99 -25.58 28.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.763 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.5 -44.48 85.01 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 173.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . 0.783 ' HA ' ' CD2' ' A' ' 919' ' ' HIS . 15.0 mtp180 -67.86 -39.83 83.71 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.384 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . 0.572 ' HB3' HD22 ' A' ' 986' ' ' LEU . 75.6 mt -54.09 -43.68 70.56 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.406 0.442 . . . . 0.0 110.288 176.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 47.9 mt-10 -55.15 -58.34 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.813 176.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . 0.783 ' CD2' ' HA ' ' A' ' 916' ' ' ARG . 10.6 p80 -72.23 -24.52 61.39 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -173.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -80.11 -45.87 17.46 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.346 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.39 -36.22 82.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.493 0.187 . . . . 0.0 111.261 -178.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -60.75 -51.9 67.37 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.971 178.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -69.25 -33.28 73.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.686 -178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -63.15 -48.04 80.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 176.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . 0.553 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.78 -41.23 90.65 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.78 177.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . 0.412 ' O ' ' HG3' ' A' ' 930' ' ' GLN . . . -65.14 -52.63 54.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.068 179.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 13.9 t -62.92 -37.49 87.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.687 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . 0.571 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -60.12 -44.78 94.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.614 177.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 57.6 m -57.15 -40.86 78.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.539 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 926' ' ' ALA . 17.7 mt-30 -68.87 -42.84 76.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.457 178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 23.5 m -65.21 -39.32 92.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.464 -177.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 956' ' ' CYS . 83.5 mt -61.01 -50.97 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 120.921 0.391 . . . . 0.0 110.681 178.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.98 87.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.351 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . 0.509 ' HB1' ' HG3' ' A' 1019 ' ' GLN . . . -63.38 -48.89 76.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.907 177.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.682 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -59.1 -49.72 76.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.441 -177.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -67.26 -28.21 67.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.505 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -85.73 -47.18 10.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.707 0.289 . . . . 0.0 111.139 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.8 87.74 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.733 -174.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -90.05 -6.67 55.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.031 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 23.2 t 61.45 87.08 0.1 Allowed 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.47 -177.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . 0.498 ' HA ' ' HD3' ' A' ' 942' ' ' PRO . . . -56.64 143.38 68.5 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.278 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . 0.859 ' HB3' ' HA ' ' A' ' 946' ' ' ALA . 4.6 Cg_exo -74.89 100.23 1.33 Allowed 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.119 2.546 . . . . 0.0 112.923 -178.04 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? -90.8 -31.75 16.37 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.29 -0.634 . . . . 0.0 109.29 173.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -142.1 -39.7 0.36 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.409 179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 61.8 m -102.27 112.72 25.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.984 178.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.859 ' HA ' ' HB3' ' A' ' 942' ' ' PRO . . . -83.82 147.12 27.75 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.216 -177.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . -142.26 172.46 24.21 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.251 -0.739 . . . . 0.0 111.251 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -71.24 83.47 0.98 Allowed 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 122.839 2.359 . . . . 0.0 112.664 -178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -149.5 52.2 1.07 Allowed Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.741 175.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . 0.666 ' HG2' HD22 ' A' ' 951' ' ' LEU . 43.4 Cg_endo -68.65 -36.1 15.26 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 122.122 1.881 . . . . 0.0 112.418 -173.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.666 HD22 ' HG2' ' A' ' 950' ' ' PRO . 3.1 mm? -71.06 -40.14 71.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.28 -178.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 952' ' ' LEU . 30.6 mt -58.19 -58.38 8.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 178.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . 0.597 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 42.1 t -65.43 -26.87 40.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.938 0.399 . . . . 0.0 111.399 -174.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . 0.532 ' HA ' ' OE1' ' A' ' 954' ' ' GLN . 6.0 tp60 -79.58 -37.73 35.66 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.856 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . 0.481 ' HB2' ' HB2' ' A' 1000 ' ' MET . 30.3 p -78.17 -39.85 39.57 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.731 -0.388 . . . . 0.0 111.054 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . 0.597 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 21.2 p -60.71 -41.62 95.62 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.237 -176.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -67.64 -36.46 80.8 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.705 0.288 . . . . 0.0 110.536 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . 0.475 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -70.58 -51.95 24.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.582 -178.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 963' ' ' ILE . 97.0 t -57.53 -40.24 73.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.883 -179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -55.38 -36.17 66.09 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.827 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -83.64 -22.41 32.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.729 0.299 . . . . 0.0 111.191 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 958' ' ' ALA . 16.5 mm100 -83.47 -23.65 32.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.238 -177.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.709 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 93.1 mt -56.32 -54.82 48.84 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.709 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 41.1 Cg_exo -58.28 -32.52 96.14 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.01 1.807 . . . . 0.0 112.24 178.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 94.0 mt -68.16 -37.58 81.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.802 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 970' ' ' VAL . 78.8 mt -60.72 -56.23 23.79 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.283 174.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 52.2 t -61.82 -39.66 84.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.329 -175.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . 0.905 HE21 ' HA ' ' A' ' 968' ' ' GLN . 0.0 OUTLIER -64.49 -34.91 79.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.009 0.433 . . . . 0.0 110.047 175.75 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -67.47 -46.5 69.34 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.631 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 966' ' ' LEU . 42.3 t -58.38 -52.24 61.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.883 0.373 . . . . 0.0 110.359 177.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.45 -25.57 68.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.303 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -67.23 -44.13 87.13 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.721 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 20.5 t -72.77 -32.94 65.97 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.055 0.455 . . . . 0.0 110.172 178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 -68.16 -27.6 66.57 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 178.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -76.5 -41.08 48.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 110.634 178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -133.79 95.55 17.32 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.05 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -69.19 -14.17 37.4 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.785 2.323 . . . . 0.0 112.149 178.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -120.59 74.77 1.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.442 0.639 . . . . 0.0 109.382 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.451 ' O ' ' HG2' ' A' ' 983' ' ' GLN . 33.5 t -159.33 108.56 1.52 Allowed Pre-proline 0 C--N 1.318 -0.776 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.35 -179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -57.89 -35.71 98.62 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.568 2.178 . . . . 0.0 111.236 176.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 25.4 t -63.35 -44.55 94.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.368 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -64.97 -40.31 94.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.83 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . 0.476 ' O ' HG13 ' A' ' 987' ' ' ILE . 40.0 mm-40 -65.95 -49.91 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.005 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.39 -24.98 65.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.702 -177.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -68.96 -45.9 69.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.838 0.351 . . . . 0.0 110.154 175.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . 0.572 HD22 ' HB3' ' A' ' 917' ' ' LEU . 2.4 tt -69.33 -46.94 65.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.783 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 983' ' ' GLN . 78.1 mt -56.49 -45.88 82.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.907 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -67.87 -42.05 81.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.98 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.49 -38.78 85.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.822 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.588 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 36.2 m -60.22 -51.23 70.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.677 178.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . 0.639 ' HA ' HD12 ' A' ' 994' ' ' LEU . 68.7 mt-30 -64.9 -36.09 83.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.726 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 48.9 m -70.31 -18.5 63.1 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.3 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.571 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 88.4 t80 -93.42 -32.13 14.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.672 178.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 991' ' ' GLN . 81.8 mt -56.62 -43.89 80.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.497 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.599 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 54.5 tp60 -60.32 -60.75 9.61 Favored Pre-proline 0 CA--C 1.543 0.679 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.995 -175.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 59.4 Cg_endo -73.07 -30.08 11.14 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 121.624 1.549 . . . . 0.0 112.285 -179.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.456 ' O ' HG23 ' A' 1001 ' ' VAL . . . -64.65 -45.27 93.38 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.697 179.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.43 -34.81 86.87 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.065 -0.588 . . . . 0.0 111.829 177.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 98.1 mttt -63.1 -41.44 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.598 0.237 . . . . 0.0 110.732 178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . 0.481 ' HB2' ' HB2' ' A' ' 955' ' ' SER . 44.9 ttp -72.3 -33.48 67.42 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -177.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 997' ' ' GLY . 99.0 t -59.19 -49.62 82.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.999 0.428 . . . . 0.0 110.036 174.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.0 -42.41 94.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.962 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -65.1 -46.56 80.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.232 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' 1008 ' ' VAL . . . -61.22 -49.29 77.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.401 -178.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.76 -28.99 69.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.941 0.401 . . . . 0.0 111.347 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -80.45 -15.11 57.56 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . 0.504 ' O ' HG13 ' A' 1011 ' ' ILE . 18.9 m -91.67 -21.15 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.67 179.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.46 ' N ' ' HD2' ' A' 1009 ' ' PRO . 48.6 t -54.56 -49.26 92.08 Favored Pre-proline 0 CA--C 1.543 0.684 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' 1008 ' ' VAL . 56.0 Cg_endo -70.88 -15.45 32.89 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 121.896 1.731 . . . . 0.0 113.228 -178.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 36.8 p -94.77 7.75 44.85 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.955 0.407 . . . . 0.0 111.14 -178.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.663 HG21 ' HB2' ' A' 1016 ' ' SER . 66.3 mt -111.09 128.33 67.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.828 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -85.99 -19.66 30.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.953 0.406 . . . . 0.0 110.524 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 32.3 t70 -80.27 118.21 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.239 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -63.55 -36.66 84.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.481 -174.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -66.87 -39.37 87.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.888 0.375 . . . . 0.0 111.184 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . 0.663 ' HB2' HG21 ' A' 1011 ' ' ILE . 29.0 m -68.65 -40.81 80.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.431 176.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -62.55 -47.96 81.56 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.156 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 25.2 ptt? -66.05 -32.32 73.73 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.567 -179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . 0.509 ' HG3' ' HB1' ' A' ' 934' ' ' ALA . 8.5 tp-100 -63.2 -46.66 85.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.447 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.682 HD21 ' HA ' ' A' ' 935' ' ' ALA . 25.0 mt -68.11 -46.68 70.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.358 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 7.8 t -60.97 -35.49 76.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.845 0.355 . . . . 0.0 110.713 -176.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -67.38 -60.02 2.92 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.806 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 58.5 m -62.73 -48.56 78.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.895 -172.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.3 -32.31 73.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.208 -176.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -73.76 -39.31 64.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.993 0.425 . . . . 0.0 110.057 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -66.43 -44.53 82.62 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.641 176.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' 1031 ' ' LEU . 51.2 tp -60.04 -41.43 92.25 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.132 176.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -62.08 -44.11 98.21 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.455 177.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 18.3 m -70.36 -31.75 69.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.126 0.488 . . . . 0.0 110.624 178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -64.88 -48.21 75.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.104 175.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . 0.594 HD22 HD23 ' A' ' 994' ' ' LEU . 97.3 mt -64.27 -33.37 75.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.619 177.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.48 -55.55 27.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.447 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -78.43 -28.95 46.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.892 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 58.2 tp -63.63 -47.75 80.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.905 0.384 . . . . 0.0 110.27 176.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -60.63 -47.46 86.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.722 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 23.0 m -63.01 -40.72 98.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.828 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -69.39 -47.15 65.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.175 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . 0.405 ' CA ' HD21 ' A' ' 917' ' ' LEU . . . -63.13 -33.75 76.13 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.072 -179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -65.41 -49.37 69.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.098 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.13 -40.62 90.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.116 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.93 83.0 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.066 0.46 . . . . 0.0 110.876 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -63.74 -45.85 87.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.783 178.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -92.29 15.23 14.21 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.413 -176.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.422 -0.799 . . . . 0.0 110.119 177.44 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 111.76 -0.536 . . . . 0.0 111.76 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 47.1 mm 63.42 78.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.527 0.68 . . . . 0.0 110.538 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -144.37 144.91 27.14 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.441 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -72.99 89.22 0.89 Allowed 'Trans proline' 0 N--CA 1.454 -0.82 0 C-N-CA 122.025 1.816 . . . . 0.0 111.804 179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . 0.407 ' HB2' ' HG3' ' A' ' 915' ' ' GLN . 93.8 m-85 -53.85 -42.45 68.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.949 175.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 914' ' ' VAL . 4.1 t -164.51 178.51 7.34 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.727 179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' A' ' 916' ' ' ARG . 37.5 mt -66.42 -33.25 75.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.888 -0.596 . . . . 0.0 112.009 -175.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 912' ' ' THR . 12.3 m -72.22 -15.32 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.756 0.313 . . . . 0.0 111.426 -175.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . 0.407 ' HG3' ' HB2' ' A' ' 911' ' ' PHE . 16.8 mm100 -66.25 -43.73 85.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.941 0.401 . . . . 0.0 110.5 179.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 913' ' ' LEU . 10.2 ptp180 -75.12 -20.99 59.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.906 178.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 62.4 tp -68.19 -46.65 70.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.011 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 47.1 mt-10 -56.25 -50.29 71.73 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 121.169 0.509 . . . . 0.0 110.043 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -59.09 -45.34 91.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.13 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -67.28 -41.88 84.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.459 -177.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.72 -40.29 92.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.684 -0.235 . . . . 0.0 111.549 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 99.6 mttt -59.47 -52.03 67.32 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.789 0.328 . . . . 0.0 110.808 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -71.87 -27.96 63.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.343 -177.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . 0.546 ' HA ' ' HB1' ' A' 1030 ' ' ALA . . . -68.73 -48.39 63.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.843 0.354 . . . . 0.0 110.159 176.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . 0.595 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.63 -35.46 74.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.358 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -69.55 -58.5 3.88 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.353 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 18.9 p -59.49 -34.37 72.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.698 0.285 . . . . 0.0 111.228 -176.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . 0.566 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -59.5 -40.89 88.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.567 175.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 46.0 m -59.82 -49.37 77.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.492 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -60.94 -41.02 95.47 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.359 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 24.9 m -63.99 -42.68 97.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 0.0 110.408 179.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.59 HG23 ' HB3' ' A' ' 956' ' ' CYS . 79.6 mt -60.75 -51.15 76.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.754 176.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.29 -26.0 66.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.469 -178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -83.42 -50.54 8.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.574 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -63.65 -57.6 9.54 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -172.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 13.1 pt20 -74.02 -10.51 59.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -173.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -98.2 -29.01 13.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.002 0.43 . . . . 0.0 110.025 178.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . 0.434 ' HB1' HD13 ' A' 1011 ' ' ILE . . . -79.26 -44.81 21.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.254 176.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . 0.572 ' HB2' HD12 ' A' ' 952' ' ' LEU . . . -81.87 69.42 8.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.145 0.498 . . . . 0.0 110.222 177.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 17.6 m -76.07 -37.27 58.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.91 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . 64.34 108.43 0.03 OUTLIER Pre-proline 0 C--O 1.235 0.316 0 O-C-N 124.103 0.877 . . . . 0.0 110.928 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -40.91 118.22 0.63 Allowed 'Trans proline' 0 CA--C 1.508 -0.779 0 C-N-CA 123.129 2.553 . . . . 0.0 111.514 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.38 77.16 8.28 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 114.282 -1.326 . . . . 0.0 111.936 -162.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -132.71 -70.68 0.54 Allowed 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.264 -1.335 . . . . 0.0 108.024 170.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 8.7 t -166.25 95.11 0.56 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.568 170.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -112.63 -34.52 5.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.522 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . 0.461 ' HA2' ' HD3' ' A' ' 948' ' ' PRO . . . 163.65 133.27 1.45 Allowed Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.659 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.461 ' HD3' ' HA2' ' A' ' 947' ' ' GLY . 14.9 Cg_exo -69.0 95.64 0.5 Allowed 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.858 2.372 . . . . 0.0 112.203 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . 0.45 ' HA ' ' HD2' ' A' ' 950' ' ' PRO . 79.2 mt-30 65.24 99.06 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.327 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.683 -179.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . 0.459 ' HG2' HG23 ' A' ' 953' ' ' VAL . 30.8 Cg_endo -65.57 168.85 13.86 Favored 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.46 2.107 . . . . 0.0 111.579 175.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.1 -39.28 78.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.586 -176.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 939' ' ' ALA . 58.2 mt -58.45 -57.41 13.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.922 177.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . 0.459 HG23 ' HG2' ' A' ' 950' ' ' PRO . 79.7 t -55.89 -43.41 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.504 -176.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -63.62 -49.65 72.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.989 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . 0.412 ' O ' HG23 ' A' ' 959' ' ' VAL . 20.3 m -65.74 -39.89 91.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.039 -178.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . 0.59 ' HB3' HG23 ' A' ' 932' ' ' ILE . 73.2 m -58.15 -47.53 83.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.808 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 10.0 mtmp? -67.09 -30.42 70.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.759 0.314 . . . . 0.0 110.395 -178.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -70.24 -48.18 58.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.617 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 963' ' ' ILE . 92.5 t -61.67 -37.22 77.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.653 178.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.98 -22.91 64.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.694 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -83.32 -24.11 32.28 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.836 0.351 . . . . 0.0 111.124 178.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . 0.438 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 15.9 mm100 -88.4 -23.77 23.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.151 -177.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.595 HG23 ' HB1' ' A' ' 925' ' ' ALA . 76.6 mt -55.72 -54.82 47.53 Favored Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 179.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.456 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.3 Cg_endo -59.25 -33.16 97.93 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.011 1.807 . . . . 0.0 112.0 178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 80.2 mt -65.93 -39.13 90.22 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.514 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 970' ' ' VAL . 82.0 mt -60.17 -59.95 4.6 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.021 175.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 40.6 t -61.1 -40.1 84.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.569 -174.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -60.6 -40.38 91.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.146 0.498 . . . . 0.0 109.718 176.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.94 -43.46 91.28 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.742 177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 966' ' ' LEU . 25.0 t -59.77 -46.28 93.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.91 0.385 . . . . 0.0 110.537 178.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 20.3 mtm180 -67.44 -26.19 66.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.621 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -68.42 -38.12 86.58 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 173.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 42.4 t -68.59 -32.72 72.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 109.883 174.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.517 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 76.6 mt-30 -65.39 -32.63 74.35 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.37 175.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -73.42 -59.31 2.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.576 178.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -139.96 95.36 8.61 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.473 178.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.87 -17.37 29.0 Favored 'Trans proline' 0 CA--C 1.528 0.193 0 C-N-CA 122.552 2.168 . . . . 0.0 112.581 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -92.76 0.65 57.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.963 0.411 . . . . 0.0 110.399 -178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 29.6 t -92.67 119.24 68.04 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.437 -179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -61.42 -33.34 88.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.252 . . . . 0.0 111.848 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 32.8 m -62.1 -34.39 76.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -79.68 -42.59 24.41 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.614 179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -65.76 -47.18 76.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.478 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 63.8 mt -60.65 -33.48 72.88 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.13 -0.228 . . . . 0.0 110.629 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.65 96.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.907 0.385 . . . . 0.0 110.482 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 1.5 tt -68.97 -51.1 43.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.81 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' 1042 ' ' GLN . 88.3 mt -58.06 -52.44 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.465 -177.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -60.23 -43.03 96.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.049 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -62.68 -36.32 82.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.971 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.536 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 31.5 m -69.22 -44.37 72.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.997 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . 0.522 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.5 mt-30 -64.58 -40.04 94.83 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.258 0.551 . . . . 0.0 110.398 178.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 11.1 t -73.1 -14.27 61.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.343 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.566 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 83.1 t80 -88.41 -33.8 17.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.141 177.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 990' ' ' SER . 88.1 mt -56.12 -46.2 79.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.618 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.458 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.2 tp-100 -57.17 -60.18 10.44 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -176.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.764 ' HA ' ' HG2' ' A' ' 999' ' ' LYS . 55.8 Cg_endo -71.99 -29.5 14.9 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 121.348 1.365 . . . . 0.0 112.351 178.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.501 ' O ' HG23 ' A' 1001 ' ' VAL . . . -63.25 -51.18 56.91 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.581 177.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -63.69 -36.69 93.66 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.683 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . 0.764 ' HG2' ' HA ' ' A' ' 996' ' ' PRO . 4.2 ptpp? -72.84 -21.12 61.0 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 120.754 -0.378 . . . . 0.0 110.801 -179.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 56.2 ttp -83.02 -32.7 26.77 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 176.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 997' ' ' GLY . 96.3 t -59.32 -51.04 77.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.01 174.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.64 -44.83 96.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.114 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -59.52 -44.03 93.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.56 178.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.551 ' O ' HG23 ' A' 1008 ' ' VAL . . . -61.33 -47.51 85.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.931 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 97.5 mttt -57.76 -36.78 72.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.699 -179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -79.76 -23.06 42.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.501 -176.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . 0.496 ' O ' HG13 ' A' 1011 ' ' ILE . 69.7 m -85.05 -21.81 29.24 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.257 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' 1004 ' ' ALA . 78.5 t -51.84 -57.4 14.93 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . 0.518 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 59.3 Cg_endo -72.1 -13.17 28.57 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 121.963 1.775 . . . . 0.0 113.434 -176.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 22.8 p -91.88 -14.89 28.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.79 0.328 . . . . 0.0 111.598 -178.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.61 HG21 ' HB2' ' A' 1016 ' ' SER . 75.7 mt -84.42 141.24 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.306 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' 1012 ' ' GLN . 1.0 OUTLIER -84.42 -41.85 16.23 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -178.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -65.54 113.73 4.39 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.295 178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.548 ' NE2' ' H ' ' A' 1014 ' ' GLN . 0.7 OUTLIER -65.86 -31.32 72.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.992 -175.286 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -67.82 -37.34 81.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.782 0.325 . . . . 0.0 110.528 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . 0.61 ' HB2' HG21 ' A' 1011 ' ' ILE . 7.2 m -65.38 -43.66 90.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.894 177.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.477 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -64.28 -46.51 83.37 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.182 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . 0.446 ' HG3' ' O ' ' A' 1014 ' ' GLN . 67.2 mtt -60.72 -47.87 84.35 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -61.73 -44.32 97.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.813 -177.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.574 HD21 ' HA ' ' A' ' 935' ' ' ALA . 12.8 mt -59.99 -52.48 65.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.758 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 26.0 t -59.02 -38.19 78.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.876 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -70.67 -48.67 53.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.018 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 77.2 m -63.4 -44.99 93.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.589 -0.278 . . . . 0.0 111.213 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.14 -31.71 72.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.15 0.5 . . . . 0.0 110.86 179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -66.46 -48.05 71.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.126 175.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -68.72 -39.05 80.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.941 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . 0.481 ' O ' ' HG ' ' A' 1031 ' ' LEU . 63.3 tp -64.11 -37.91 89.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.057 176.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -60.26 -46.88 93.46 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.122 -0.561 . . . . 0.0 112.277 177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 5.6 m -68.86 -33.62 74.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.982 0.42 . . . . 0.0 110.568 178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . 0.546 ' HB1' ' HA ' ' A' ' 924' ' ' ALA . . . -61.53 -43.54 98.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.076 176.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' 1027 ' ' LEU . 91.0 mt -67.94 -36.45 80.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.413 175.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.5 88.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.449 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -64.93 -55.46 19.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.217 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' 1034 ' ' LEU . 6.8 mt -50.8 -56.46 12.02 Favored 'General case' 0 C--N 1.329 -0.298 0 O-C-N 123.674 0.609 . . . . 0.0 112.119 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' 1035 ' ' ARG . 42.7 ttp180 -52.62 -48.33 66.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.625 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . 0.446 HG22 ' HE2' ' A' 1040 ' ' LYS . 27.6 m -71.26 -43.23 67.61 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.009 0.433 . . . . 0.0 111.168 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -63.98 -51.93 61.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.192 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -65.78 -33.74 76.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.045 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . 0.449 ' O ' ' HG2' ' A' 1043 ' ' GLU . 25.0 tp60 -62.09 -53.44 55.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.729 0.3 . . . . 0.0 110.518 179.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . 0.446 ' HE2' HG22 ' A' 1036 ' ' THR . 58.2 mtmt -69.55 -34.46 74.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.217 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -71.64 -31.14 66.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.805 0.336 . . . . 0.0 111.189 179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . 0.515 ' HA ' HD13 ' A' ' 987' ' ' ILE . 24.2 tm0? -66.64 -39.2 88.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.107 0.48 . . . . 0.0 110.154 -179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' 1039 ' ' GLN . 9.3 pt-20 -94.11 15.02 18.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.907 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . 0.416 ' HB2' HD12 ' A' ' 913' ' ' LEU . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.681 -0.676 . . . . 0.0 109.909 176.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.679 0 N-CA-C 112.044 -0.422 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . 0.673 HD11 ' HA ' ' A' ' 916' ' ' ARG . 9.6 tt -131.12 137.95 54.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.243 0.544 . . . . 0.0 111.095 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -129.07 126.43 23.11 Favored Pre-proline 0 C--N 1.32 -0.692 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 174.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -72.27 78.06 1.96 Allowed 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.216 1.944 . . . . 0.0 112.81 -178.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . 0.699 ' HD2' ' HG2' ' A' ' 915' ' ' GLN . 94.6 m-85 -68.66 -57.71 5.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.62 173.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 81.2 p -125.75 177.96 5.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.283 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' 1041 ' ' ALA . 88.9 mt -69.21 -40.06 78.24 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.699 178.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 27.4 m -77.95 -25.05 14.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.664 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . 0.699 ' HG2' ' HD2' ' A' ' 911' ' ' PHE . 6.5 tp-100 -63.48 -43.37 97.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 0.0 110.683 178.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . 0.673 ' HA ' HD11 ' A' ' 908' ' ' ILE . 16.1 ptm180 -72.71 -24.66 61.03 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.158 177.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 16.9 mt -68.92 -52.8 25.52 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.807 175.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -50.16 -54.98 17.04 Favored 'General case' 0 N--CA 1.462 0.151 0 O-C-N 123.361 0.413 . . . . 0.0 111.47 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 17.8 m80 -66.15 -32.63 74.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.98 -175.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -75.62 -43.64 46.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.911 0.386 . . . . 0.0 110.743 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.62 88.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.31 -178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -55.45 -53.88 50.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.083 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -67.97 -31.36 71.03 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.622 -176.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.23 -50.33 66.24 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 176.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . 0.71 ' HB2' HD12 ' A' ' 966' ' ' LEU . . . -61.15 -41.6 97.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.748 178.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.58 -48.69 71.48 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.168 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 18.7 t -65.78 -34.53 78.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.333 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.31 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 174.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 49.0 m -59.3 -43.67 92.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.26 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -61.06 -45.82 93.18 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.577 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 23.7 m -64.03 -39.24 93.66 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.798 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.631 HG23 ' SG ' ' A' ' 956' ' ' CYS . 52.6 mt -59.76 -48.56 87.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.805 0.336 . . . . 0.0 110.575 176.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . 0.404 ' O ' ' HD2' ' A' ' 937' ' ' HIS . . . -60.07 -48.54 81.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.518 178.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -61.51 -42.09 98.28 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.063 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.84 75.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.358 -178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -70.07 -25.11 63.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.473 -176.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . 0.404 ' HD2' ' O ' ' A' ' 933' ' ' ALA . 64.8 m-70 -86.33 -59.72 2.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.732 0.301 . . . . 0.0 111.393 178.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -65.96 -37.91 87.21 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -170.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . 0.448 ' C ' ' H ' ' A' ' 941' ' ' ALA . . . -81.4 -4.81 56.87 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.156 -0.217 . . . . 0.0 111.393 -177.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 24.9 t 71.62 -31.98 0.24 Allowed 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.418 0.687 . . . . 0.0 111.799 178.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . 0.448 ' H ' ' C ' ' A' ' 939' ' ' ALA . . . 72.59 126.21 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.338 0 C-N-CA 123.908 0.883 . . . . 0.0 111.132 -179.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 941' ' ' ALA . 47.8 Cg_exo -56.37 144.17 83.9 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.953 2.435 . . . . 0.0 112.229 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 61.6 mttm -83.47 -51.94 6.93 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.526 -176.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -140.01 105.23 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.576 -179.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 39.1 t -131.72 156.34 46.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.06 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -123.08 8.64 9.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.036 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 179.0 -76.76 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.342 -0.933 . . . . 0.0 113.068 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -55.23 104.46 0.12 Allowed 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 123.318 2.678 . . . . 0.0 113.277 -178.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . 0.501 HE21 HG11 ' A' ' 953' ' ' VAL . 15.7 mm100 -118.98 154.25 53.08 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.453 177.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.44 30.19 0.23 Allowed 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 123.21 2.606 . . . . 0.0 113.187 -178.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.465 ' HG ' ' HB2' ' A' 1003 ' ' ALA . 14.8 tp 68.99 -55.79 0.55 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.811 0.844 . . . . 0.0 112.111 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 28.8 mt -41.4 -45.42 3.1 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . 0.501 HG11 HE21 ' A' ' 949' ' ' GLN . 44.6 t -58.32 -39.29 73.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.021 0.438 . . . . 0.0 111.366 -177.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -77.45 -46.32 22.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.012 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 959' ' ' VAL . 11.9 m -61.08 -41.19 96.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.667 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . 0.631 ' SG ' HG23 ' A' ' 932' ' ' ILE . 36.3 t -55.56 -44.49 76.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.948 179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.79 -44.19 86.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.636 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -62.46 -47.24 84.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.037 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 963' ' ' ILE . 89.6 t -64.03 -42.34 95.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -57.96 -28.29 64.2 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.45 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -82.0 -27.6 33.06 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . 0.901 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 84.2 mm-40 -88.36 -33.38 17.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.042 -175.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 959' ' ' VAL . 78.5 mt -48.11 -54.59 23.53 Favored Pre-proline 0 N--CA 1.47 0.532 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -178.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 11.6 Cg_endo -56.02 -46.17 33.1 Favored 'Trans proline' 0 C--N 1.351 0.7 0 C-N-CA 122.146 1.897 . . . . 0.0 112.344 178.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 98.3 mt -66.92 -35.66 80.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.145 0.498 . . . . 0.0 110.344 -177.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 925' ' ' ALA . 2.1 tm? -67.47 -47.19 70.82 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.909 179.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 71.7 t -68.41 -39.63 81.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.101 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . 0.432 ' OE1' ' HA ' ' A' ' 968' ' ' GLN . 15.9 mm-40 -64.92 -27.29 68.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 110.183 175.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.5 -44.9 89.05 Favored Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 173.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 974' ' ' GLN . 38.6 t -59.49 -52.15 64.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.017 0.437 . . . . 0.0 110.327 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 971' ' ' ARG . 36.5 mtp85 -68.52 -24.09 64.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.191 -177.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -63.64 -40.67 98.86 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.511 176.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . 0.411 ' HB2' HD12 ' A' ' 986' ' ' LEU . 34.6 t -69.67 -25.49 63.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.295 0.569 . . . . 0.0 110.218 177.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.485 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 80.2 mt-30 -81.06 -34.54 32.68 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.462 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -77.03 -34.18 57.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.631 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -122.4 89.77 49.33 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.402 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.24 -60.87 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.611 2.874 . . . . 0.0 113.683 -172.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -120.5 71.91 0.94 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.604 0.716 . . . . 0.0 110.716 -175.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 980' ' ' PRO . 51.0 m -130.17 120.63 19.24 Favored Pre-proline 0 N--CA 1.443 -0.788 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.89 176.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 979' ' ' SER . 5.9 Cg_endo -49.71 -41.54 45.71 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.295 2.663 . . . . 0.0 112.303 178.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 10.7 p -59.08 -50.91 72.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.983 178.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.24 86.53 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.183 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . 0.417 ' O ' HG13 ' A' ' 987' ' ' ILE . 1.9 mp0 -58.04 -51.14 70.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.961 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 37.6 tp -66.66 -29.29 69.27 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.058 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.43 -40.63 97.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.38 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . 0.411 HD12 ' HB2' ' A' ' 973' ' ' SER . 3.1 tt -66.87 -45.32 78.44 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . 0.603 HG21 ' HB2' ' A' 1042 ' ' GLN . 81.5 mt -57.37 -49.89 78.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.816 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -63.54 -42.59 98.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.07 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . 0.427 ' HB1' ' HA ' ' A' ' 966' ' ' LEU . . . -61.7 -41.23 97.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.861 179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.669 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.2 m -58.63 -49.16 78.51 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.666 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . 0.732 ' HA ' HD12 ' A' ' 994' ' ' LEU . 65.6 mt-30 -68.55 -35.01 76.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.613 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 24.2 t -66.59 -22.87 66.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.532 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.509 ' CG ' ' HG ' ' A' ' 966' ' ' LEU . 45.9 t80 -88.4 -29.2 20.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.577 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 991' ' ' GLN . 69.0 mt -63.64 -41.96 98.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.622 -178.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.792 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.5 tp60 -57.26 -60.96 8.08 Favored Pre-proline 0 CA--C 1.539 0.549 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.852 -177.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.901 ' HG2' ' HG3' ' A' ' 962' ' ' GLN . 12.0 Cg_exo -70.45 -38.69 5.97 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 121.938 1.759 . . . . 0.0 111.878 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.522 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.42 -50.62 65.59 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.242 -178.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.66 -35.49 91.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.097 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 38.5 mttp -69.73 -32.69 71.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.475 0.179 . . . . 0.0 111.114 178.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 47.1 ttp -74.2 -31.32 62.6 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 997' ' ' GLY . 71.2 t -62.03 -50.64 79.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 172.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -58.52 -42.37 87.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.86 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . 0.465 ' HB2' ' HG ' ' A' ' 951' ' ' LEU . . . -63.09 -48.29 79.2 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.152 178.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' 1008 ' ' VAL . . . -58.63 -51.13 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.061 -178.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.7 mttt -62.62 -29.35 70.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.599 -178.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -80.62 -24.72 38.87 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.992 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . 0.584 ' O ' HG13 ' A' 1011 ' ' ILE . 32.6 t -85.12 -23.95 28.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.566 179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' 1004 ' ' ALA . 69.2 t -51.51 -53.74 46.74 Favored Pre-proline 0 CA--C 1.541 0.606 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 -178.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . 0.404 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 58.8 Cg_endo -71.99 -14.66 29.31 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 121.762 1.641 . . . . 0.0 113.06 -177.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 25.4 p -95.42 -1.0 51.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.949 0.404 . . . . 0.0 111.38 -178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.584 HG13 ' O ' ' A' 1007 ' ' SER . 83.5 mt -90.61 135.88 25.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -76.54 -35.63 58.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.039 0.447 . . . . 0.0 110.554 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -83.9 108.79 17.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.354 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -70.1 -26.29 63.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.77 -174.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . 0.45 ' O ' ' HG2' ' A' 1018 ' ' MET . . . -67.34 -38.54 85.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.251 0.548 . . . . 0.0 109.892 175.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 41.3 m -72.69 -34.36 67.13 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.361 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.547 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -63.95 -44.47 92.7 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.029 177.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' 1015 ' ' ALA . 26.6 ptm -68.85 -25.45 64.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.342 179.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -65.79 -46.46 78.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.105 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 11.9 mt -64.69 -42.5 95.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.862 175.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 26.0 t -60.85 -43.27 98.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.88 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -60.23 -48.17 82.86 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.794 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 61.7 m -64.23 -47.58 79.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.014 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.26 83.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.421 -178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -62.83 -45.93 90.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.489 178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -67.07 -52.6 40.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.793 178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.12 -47.39 78.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.33 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.84 -40.04 96.21 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 121.068 -0.587 . . . . 0.0 112.766 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 22.0 m -75.79 -35.8 59.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.983 0.42 . . . . 0.0 110.559 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.7 -48.1 82.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.29 176.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 994' ' ' LEU . 94.6 mt -66.09 -32.06 73.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.575 177.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.57 -49.44 74.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.127 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.35 -22.15 30.66 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.324 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 57.7 tp -66.63 -46.18 76.64 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 174.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -61.49 -40.15 93.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.296 176.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 47.2 m -63.8 -47.51 80.58 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.693 177.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . 0.4 ' HB1' ' HG3' ' A' ' 916' ' ' ARG . . . -65.1 -46.25 81.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.678 -178.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.58 -36.42 82.67 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.009 -178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . 0.652 ' O ' ' HG2' ' A' 1043 ' ' GLU . 52.0 tp60 -62.79 -52.62 62.48 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 67.9 mttm -56.49 -46.35 80.53 Favored 'General case' 0 C--N 1.332 -0.153 0 O-C-N 123.5 0.5 . . . . 0.0 111.661 -178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . 0.575 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -66.31 -25.95 67.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.438 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . 0.603 ' HB2' HG21 ' A' ' 987' ' ' ILE . 0.8 OUTLIER -85.22 -32.42 22.63 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.574 -179.492 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . 0.652 ' HG2' ' O ' ' A' 1039 ' ' GLN . 6.3 mm-40 -68.04 -34.24 76.09 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.15 0.5 . . . . 0.0 110.656 178.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.065 -177.389 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.701 0 N-CA-C 112.077 -0.409 . . . . 0.0 112.077 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 39.7 pt -70.79 156.4 7.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.723 0.297 . . . . 0.0 110.66 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -117.11 122.84 30.72 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-O 121.027 0.442 . . . . 0.0 110.934 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . 0.538 ' O ' ' HG2' ' A' ' 915' ' ' GLN . 58.0 Cg_endo -88.78 -154.77 0.05 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.73 0 C-N-CA 123.249 2.633 . . . . 0.0 109.825 170.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -112.1 107.54 16.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.012 0.91 . . . . 0.0 110.548 173.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 40.3 p -101.39 -176.89 3.28 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.885 -1.052 . . . . 0.0 110.098 177.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.56 -40.14 78.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.965 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 10.9 m -85.64 -35.4 9.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 910' ' ' PRO . 5.8 tp-100 -57.17 -34.01 68.04 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.246 0.546 . . . . 0.0 110.612 -177.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -65.78 -36.17 82.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.621 177.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 58.9 tp -70.89 -53.94 13.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.524 -179.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.42 ' OE1' HD13 ' A' ' 986' ' ' LEU . 0.3 OUTLIER -49.09 -42.56 39.37 Favored 'General case' 0 N--CA 1.452 -0.338 0 O-C-N 123.489 0.493 . . . . 0.0 111.46 176.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 21.3 m80 -75.07 -40.33 60.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.577 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -65.86 -35.72 81.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.671 0.272 . . . . 0.0 111.053 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -63.75 -40.08 95.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.956 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -57.72 -54.13 50.34 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.167 0.508 . . . . 0.0 110.615 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -69.93 -34.67 73.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.132 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -63.53 -45.08 92.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.852 0.358 . . . . 0.0 110.306 178.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -59.52 -41.19 89.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.425 176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.04 -52.75 54.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.114 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 56.6 m -61.5 -36.43 80.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.408 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . 0.444 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -62.35 -43.38 98.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.769 0.319 . . . . 0.0 110.25 175.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 36.3 m -60.83 -41.48 95.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.6 178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -60.66 -46.17 91.35 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.056 0.455 . . . . 0.0 110.589 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 21.6 m -66.15 -38.79 88.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.096 -177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . . . . . . . . . 57.5 mt -61.89 -44.9 99.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 120.857 0.361 . . . . 0.0 110.827 177.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.38 -45.93 90.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.765 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -67.89 -42.09 81.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.003 178.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.542 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -56.24 -46.47 79.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.667 -178.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . 0.433 ' O ' ' HB2' ' A' ' 940' ' ' SER . 48.3 mt-30 -65.16 -42.94 93.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.439 -178.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 65.0 m80 -77.17 -29.56 54.54 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -175.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -90.29 -55.64 3.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 -177.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . 0.543 ' HB2' HD12 ' A' ' 952' ' ' LEU . . . -75.65 -44.23 43.59 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.68 0.276 . . . . 0.0 111.606 -174.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.433 ' HB2' ' O ' ' A' ' 936' ' ' GLN . 41.5 m -87.17 -8.53 56.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.455 -179.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . 67.86 154.76 0.14 Allowed Pre-proline 0 CA--C 1.53 0.187 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.818 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.62 11.33 1.65 Allowed 'Trans proline' 0 CA--C 1.528 0.224 0 C-N-CA 122.984 2.456 . . . . 0.0 112.514 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -139.91 -74.84 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.164 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -152.64 144.57 23.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 39.8 p -73.05 155.69 39.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -120.13 116.89 26.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 105.11 -146.79 16.13 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.424 -0.671 . . . . 0.0 111.424 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.87 -170.9 0.99 Allowed 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.521 2.148 . . . . 0.0 111.46 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . 0.482 ' HA ' ' HD3' ' A' ' 950' ' ' PRO . 2.3 mp0 -75.71 133.82 73.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 949' ' ' GLN . 4.9 Cg_exo -77.34 18.46 0.8 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.824 2.349 . . . . 0.0 114.093 -170.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 70.0 -46.04 0.59 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.238 0.615 . . . . 0.0 111.986 178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . 0.543 HD12 ' HB2' ' A' ' 939' ' ' ALA . 68.3 mt -52.94 -32.12 43.98 Favored 'General case' 0 CA--C 1.517 -0.299 0 C-N-CA 122.909 0.484 . . . . 0.0 112.037 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 7.9 p -58.76 -42.73 86.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.338 0.589 . . . . 0.0 110.711 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -69.59 -46.52 66.14 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.366 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . 0.467 ' O ' HG23 ' A' ' 959' ' ' VAL . 14.2 m -61.75 -42.87 99.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.079 -178.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 34.5 t -53.21 -43.88 67.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.364 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -63.24 -39.7 95.36 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.003 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 961' ' ' GLU . . . -76.94 -32.16 57.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.226 -178.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 963' ' ' ILE . 91.1 t -70.72 -44.89 76.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.009 0.433 . . . . 0.0 110.164 177.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -63.18 -22.32 66.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.305 -176.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.537 ' HG3' ' HG2' ' A' ' 962' ' ' GLN . 13.3 pt-20 -85.44 -22.81 28.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.729 0.3 . . . . 0.0 110.859 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . 0.773 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 88.3 mm-40 -99.37 -21.09 16.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.746 -174.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.54 HG13 ' O ' ' A' ' 959' ' ' VAL . 70.3 mt -55.45 -52.65 69.95 Favored Pre-proline 0 CA--C 1.539 0.528 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 176.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 16.6 Cg_endo -58.28 -36.63 97.51 Favored 'Trans proline' 0 C--N 1.354 0.827 0 C-N-CA 122.001 1.801 . . . . 0.0 112.105 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.53 -36.65 84.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.918 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.596 ' O ' HG23 ' A' ' 970' ' ' VAL . 93.5 mt -57.29 -55.75 30.78 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-O 121.061 0.458 . . . . 0.0 109.894 173.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 58.4 t -66.17 -36.33 77.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.398 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 964' ' ' PRO . 15.3 mm100 -60.49 -40.74 92.4 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.177 0.513 . . . . 0.0 109.698 173.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.11 -47.83 81.34 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.578 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 966' ' ' LEU . 62.0 t -56.37 -49.74 75.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.473 0.178 . . . . 0.0 110.965 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -59.39 -36.77 76.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.664 0.269 . . . . 0.0 111.289 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -71.95 -43.76 48.44 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.927 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 69.4 m -69.66 -28.74 66.13 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.882 0.372 . . . . 0.0 111.468 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -77.1 -32.26 56.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 110.86 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -77.02 -43.09 35.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.575 178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -126.68 84.1 63.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.31 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -74.48 -7.63 19.77 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.526 2.15 . . . . 0.0 111.134 173.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -82.36 -37.05 26.21 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.944 -1.025 . . . . 0.0 110.448 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 43.9 t -72.89 115.02 35.98 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.082 -174.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.415 ' O ' HD23 ' A' ' 984' ' ' LEU . 25.6 Cg_exo -62.63 -33.82 76.36 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.457 2.104 . . . . 0.0 110.818 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 30.6 m -67.96 -27.87 66.97 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.872 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -67.49 -55.75 12.3 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . 0.558 ' O ' HG13 ' A' ' 987' ' ' ILE . 5.4 mp0 -56.11 -49.53 73.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.17 176.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' A' ' 987' ' ' ILE . 3.7 mm? -56.71 -37.22 70.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.376 179.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.01 99.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.707 0.289 . . . . 0.0 110.641 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . 0.42 HD13 ' OE1' ' A' ' 918' ' ' GLU . 0.7 OUTLIER -68.81 -42.12 77.72 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.076 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 983' ' ' GLN . 78.7 mt -55.94 -48.26 78.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 120.95 0.405 . . . . 0.0 110.371 176.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -64.09 -44.25 92.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.822 178.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.98 88.08 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.188 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.589 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 48.3 m -62.21 -46.56 88.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.636 178.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . 0.702 ' HA ' HD12 ' A' ' 994' ' ' LEU . 79.7 mt-30 -67.22 -34.66 77.96 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.224 0.535 . . . . 0.0 110.44 178.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 45.2 t -66.66 -24.15 66.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.417 176.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.444 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 87.5 t80 -90.65 -29.48 17.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.732 178.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.702 HD12 ' HA ' ' A' ' 991' ' ' GLN . 91.2 mt -54.63 -45.1 73.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.63 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.861 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 6.4 tp-100 -59.29 -62.18 6.36 Favored Pre-proline 0 CA--C 1.544 0.733 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.163 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.861 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 32.3 Cg_exo -60.35 -41.06 52.93 Favored 'Trans proline' 0 C--N 1.356 0.939 0 C-N-CA 122.348 2.032 . . . . 0.0 112.598 179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.451 ' O ' HG23 ' A' 1001 ' ' VAL . . . -61.28 -47.75 89.2 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.025 -0.607 . . . . 0.0 112.045 179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.58 -30.04 73.51 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.256 -0.497 . . . . 0.0 112.149 178.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . 0.576 ' HD2' ' HA ' ' A' ' 996' ' ' PRO . 65.8 mttm -61.76 -47.33 85.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.648 0.261 . . . . 0.0 110.371 175.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 47.5 ttp -71.63 -32.29 67.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.572 -175.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 997' ' ' GLY . 87.5 t -61.14 -48.78 87.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.96 0.41 . . . . 0.0 110.207 175.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -67.55 -43.13 81.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.872 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -64.83 -38.14 89.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.284 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' 1008 ' ' VAL . . . -61.57 -46.96 87.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.769 0.319 . . . . 0.0 110.613 179.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.76 -24.79 67.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.166 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -90.92 -13.26 33.87 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.194 -178.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 31.9 t -102.38 2.39 36.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.055 0.455 . . . . 0.0 110.489 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.649 HG13 ' HB1' ' A' 1017 ' ' ALA . 78.4 t -71.06 -56.63 5.44 Favored Pre-proline 0 CA--C 1.538 0.519 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.32 176.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . 0.433 ' HD2' ' N ' ' A' 1008 ' ' VAL . 35.5 Cg_endo -64.77 -20.45 64.88 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 122.132 1.888 . . . . 0.0 113.02 -176.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 34.7 p -77.65 -10.57 59.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.052 0.453 . . . . 0.0 111.041 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.641 HG21 ' HB2' ' A' 1016 ' ' SER . 73.1 mt -95.16 111.72 26.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.142 0.496 . . . . 0.0 110.413 178.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . 0.56 ' NE2' ' H ' ' A' 1012 ' ' GLN . 0.9 OUTLIER -84.09 16.05 3.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.148 -178.7 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . 0.618 ' H ' HG22 ' A' 1011 ' ' ILE . 3.8 m-20 -96.48 -17.28 20.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.536 179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 26.0 mp0 64.28 -56.77 0.24 Allowed 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 114.861 -1.063 . . . . 0.0 112.761 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' 1018 ' ' MET . . . -64.29 -40.56 96.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.792 0.33 . . . . 0.0 111.388 -178.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . 0.641 ' HB2' HG21 ' A' 1011 ' ' ILE . 16.5 m -68.33 -25.04 64.91 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.179 0.514 . . . . 0.0 110.261 175.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.649 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -77.95 -45.27 24.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.92 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' 1015 ' ' ALA . 0.0 OUTLIER -66.13 -27.24 67.89 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.033 0.444 . . . . 0.0 110.054 178.339 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -64.78 -41.15 96.07 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.915 176.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 935' ' ' ALA . 8.9 mt -66.45 -47.41 73.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.055 176.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 15.4 t -60.06 -40.38 89.27 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.704 -178.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -63.29 -36.49 83.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.075 0.464 . . . . 0.0 110.875 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . 0.734 ' HA ' ' ND2' ' A' 1026 ' ' ASN . 81.2 m -75.68 -41.55 53.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.821 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.79 75.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.932 0.396 . . . . 0.0 110.372 176.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -63.2 -57.95 8.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.929 176.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . 0.734 ' ND2' ' HA ' ' A' 1023 ' ' CYS . 5.9 p30 -66.85 -34.0 76.84 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.055 -174.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 64.2 tp -72.18 -37.91 69.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.815 0.34 . . . . 0.0 110.214 177.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -60.65 -46.24 94.82 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 121.129 -0.557 . . . . 0.0 112.038 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 17.4 m -71.19 -32.61 69.08 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.677 0.275 . . . . 0.0 110.532 177.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.22 82.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.972 0.415 . . . . 0.0 110.138 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 98.5 mt -65.32 -34.9 79.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.47 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.8 -55.02 40.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.963 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -73.21 -30.85 63.8 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.03 -0.268 . . . . 0.0 110.937 -178.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 64.0 tp -62.28 -51.05 69.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.996 0.427 . . . . 0.0 110.182 175.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 -62.99 -41.1 99.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.564 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 33.4 m -63.63 -41.18 98.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.961 0.41 . . . . 0.0 110.55 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.75 -48.12 75.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.22 -37.9 87.11 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -48.95 79.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.093 0.473 . . . . 0.0 110.007 179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -80.66 -6.09 57.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.967 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -87.7 -27.86 22.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.107 0.48 . . . . 0.0 110.109 174.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -65.56 -37.12 85.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.113 177.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -89.74 9.57 26.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.132 -178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.347 -0.835 . . . . 0.0 109.939 177.651 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.737 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 13.7 tt -97.27 146.11 8.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.897 0.379 . . . . 0.0 110.282 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . 0.471 ' HA ' ' HD3' ' A' ' 910' ' ' PRO . 29.2 t70 -131.52 125.43 20.64 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.665 178.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . 0.858 ' HB3' ' HB3' ' A' ' 916' ' ' ARG . 2.7 Cg_exo -75.46 86.05 1.51 Allowed 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.656 2.238 . . . . 0.0 111.408 175.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -58.81 -61.75 2.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.188 0.518 . . . . 0.0 109.952 177.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 67.8 p -106.7 172.05 7.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.13 177.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.587 HD13 ' HA ' ' A' 1041 ' ' ALA . 96.9 mt -69.4 -35.12 75.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.78 0.324 . . . . 0.0 110.453 178.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . 0.451 HG11 ' HG3' ' A' ' 983' ' ' GLN . 34.1 m -74.33 -22.26 17.84 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.462 0 C-N-CA 120.942 -0.303 . . . . 0.0 110.679 176.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -67.37 -40.29 85.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.977 0.418 . . . . 0.0 110.65 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . 0.858 ' HB3' ' HB3' ' A' ' 910' ' ' PRO . 19.5 ptp180 -72.68 -25.48 61.27 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . 0.422 ' HB3' HD22 ' A' ' 986' ' ' LEU . 19.3 mt -72.62 -41.41 65.57 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.61 174.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.631 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 19.9 mm-40 -44.8 -66.03 0.45 Allowed 'General case' 0 CA--C 1.517 -0.319 0 O-C-N 123.77 0.669 . . . . 0.0 111.296 178.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -56.61 -43.65 80.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.167 -176.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.98 93.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.301 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -68.0 -38.71 82.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.291 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . 0.631 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 42.0 mttm -60.76 -42.65 97.86 Favored 'General case' 0 N--CA 1.462 0.128 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 176.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 14.1 mm-40 -63.29 -53.31 54.88 Favored 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.746 176.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . 0.442 ' HB1' ' CE2' ' A' ' 993' ' ' PHE . . . -51.61 -48.02 63.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.004 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.16 94.79 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.958 0.409 . . . . 0.0 111.102 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.68 -56.24 17.25 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.467 -178.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 9.1 t -67.49 -32.54 73.44 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.916 -175.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . 0.627 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.09 -45.16 95.84 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.799 0.333 . . . . 0.0 110.63 177.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 25.7 m -59.39 -39.7 84.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.186 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . 0.428 ' OE1' ' HA ' ' A' ' 930' ' ' GLN . 15.2 mm-40 -67.79 -44.52 77.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.114 177.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . 0.463 ' OG1' ' HB3' ' A' 1023 ' ' CYS . 21.1 m -63.43 -40.96 98.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 928' ' ' ALA . 75.9 mt -61.86 -44.77 99.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.74 0.305 . . . . 0.0 110.456 177.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.09 -45.39 93.1 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.133 0.492 . . . . 0.0 110.768 178.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.93 82.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.939 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.453 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -62.58 -49.98 73.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.581 -177.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . 0.421 ' HA ' ' OE1' ' A' ' 936' ' ' GLN . 16.1 mm-40 -64.32 -28.94 70.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.738 -177.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -87.56 -24.55 23.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.888 0.375 . . . . 0.0 111.184 179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . 0.501 ' HB1' HD13 ' A' 1011 ' ' ILE . . . -79.45 -25.9 41.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.085 0.469 . . . . 0.0 110.64 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -78.88 86.96 4.74 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.009 179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 14.3 p -78.96 -9.04 59.4 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.748 174.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . 0.461 ' HA ' ' HD2' ' A' ' 942' ' ' PRO . . . 59.78 90.98 0.08 OUTLIER Pre-proline 0 C--O 1.233 0.21 0 CA-C-N 114.605 -1.18 . . . . 0.0 112.01 176.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . 0.805 ' HB2' ' HB3' ' A' ' 945' ' ' SER . 12.2 Cg_endo -57.52 114.65 2.04 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.396 2.064 . . . . 0.0 110.229 172.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . 0.531 ' HD2' ' N ' ' A' ' 943' ' ' LYS . 11.7 mptt -59.38 -32.23 69.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.735 -165.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -112.25 1.36 16.11 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.715 0.293 . . . . 0.0 111.679 -177.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . 0.805 ' HB3' ' HB2' ' A' ' 942' ' ' PRO . 28.3 t -113.9 -30.87 6.59 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.868 0.366 . . . . 0.0 111.105 -176.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -87.67 131.1 34.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.776 0.322 . . . . 0.0 110.415 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . -104.22 178.09 24.34 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.685 178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.75 125.27 18.08 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.894 2.396 . . . . 0.0 112.47 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 64.28 83.04 0.2 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.322 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -67.85 154.31 73.32 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 122.733 2.289 . . . . 0.0 110.98 172.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.812 HD12 ' HB2' ' A' 1003 ' ' ALA . 0.2 OUTLIER -57.46 -42.05 81.77 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 123.185 0.303 . . . . 0.0 111.149 -175.822 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 83.4 mt -58.75 -56.81 17.4 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.731 0.3 . . . . 0.0 111.074 178.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . 0.534 ' HA ' ' SG ' ' A' ' 956' ' ' CYS . 48.5 t -63.6 -38.55 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.229 -176.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -63.1 -50.16 71.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.51 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 17.6 m -69.5 -39.11 77.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.462 -177.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 17.2 p -63.16 -29.58 70.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.492 0.187 . . . . 0.0 111.05 -175.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 961' ' ' GLU . 54.8 mtmt -69.64 -42.98 73.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.753 0.311 . . . . 0.0 110.472 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -63.89 -43.0 97.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.167 178.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 963' ' ' ILE . 94.9 t -64.87 -42.02 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.17 178.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.57 -23.85 64.98 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.436 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 66.0 mt-10 -82.96 -23.98 33.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.908 0.385 . . . . 0.0 110.631 178.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -91.42 -23.6 19.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.453 -173.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.704 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 70.9 mt -56.59 -54.42 53.77 Favored Pre-proline 0 CA--C 1.536 0.438 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 179.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.704 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 23.9 Cg_exo -64.78 -26.48 60.19 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 121.907 1.738 . . . . 0.0 111.948 178.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 68.0 mt -70.0 -43.39 71.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.665 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.646 ' O ' HG23 ' A' ' 970' ' ' VAL . 83.8 mt -54.23 -58.62 6.67 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.348 175.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.57 -32.43 56.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.141 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -60.82 -45.71 93.39 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 173.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -64.19 -46.51 90.77 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.996 176.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 966' ' ' LEU . 41.8 t -54.94 -61.79 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.843 0.354 . . . . 0.0 110.537 178.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.1 -31.39 69.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.587 -177.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -72.38 -39.35 57.22 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.226 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 28.5 m -69.58 -31.49 69.68 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.925 0.393 . . . . 0.0 110.533 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.603 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 84.0 mt-30 -64.56 -46.34 83.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.335 174.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.87 71.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.404 -176.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . 0.455 ' HB3' ' HB2' ' A' ' 979' ' ' SER . 48.8 mt-30 -123.71 84.03 53.86 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.981 -178.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -78.54 -15.64 13.74 Favored 'Trans proline' 0 N--CA 1.462 -0.334 0 C-N-CA 122.904 2.403 . . . . 0.0 112.301 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -98.43 -37.19 9.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.098 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.455 ' HB2' ' HB3' ' A' ' 976' ' ' GLN . 18.3 m -68.3 114.77 23.44 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 -176.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -57.51 -32.87 95.41 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 123.4 2.733 . . . . 0.0 113.436 -175.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 10.0 t -65.42 -29.28 69.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.755 0.312 . . . . 0.0 110.418 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -71.11 -43.81 66.9 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 176.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . 0.451 ' HG3' HG11 ' A' ' 914' ' ' VAL . 2.0 mp0 -59.63 -49.68 76.8 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.117 175.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -60.06 -30.89 69.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.011 178.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -64.07 -49.79 70.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.622 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . 0.422 HD22 ' HB3' ' A' ' 917' ' ' LEU . 0.6 OUTLIER -62.97 -49.37 74.98 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.004 0.43 . . . . 0.0 110.092 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 983' ' ' GLN . 72.5 mt -60.23 -51.36 73.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.415 -177.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.11 96.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.345 -177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -60.46 -39.97 89.5 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.719 0.295 . . . . 0.0 110.844 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.524 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 45.9 m -60.28 -50.21 74.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.691 178.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . 0.479 ' HA ' HD12 ' A' ' 994' ' ' LEU . 95.7 mt-30 -65.08 -41.13 95.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.136 0.493 . . . . 0.0 110.647 179.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 35.9 t -67.91 -13.56 62.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.025 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.627 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 80.3 t80 -96.23 -33.77 11.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.775 0.321 . . . . 0.0 110.59 178.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 990' ' ' SER . 94.5 mt -56.11 -51.01 69.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.022 -177.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.486 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 9.4 tp-100 -62.47 -56.34 31.14 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -174.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.486 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 55.5 Cg_endo -71.74 -33.91 9.68 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.725 1.617 . . . . 0.0 112.266 179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.48 ' O ' HG23 ' A' 1001 ' ' VAL . . . -64.2 -40.49 98.05 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.99 -0.624 . . . . 0.0 111.787 179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.49 -32.55 81.56 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.016 -0.612 . . . . 0.0 112.174 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -69.06 -32.55 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.942 -0.152 . . . . 0.0 110.817 179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 46.5 ttp -76.83 -31.49 56.92 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 997' ' ' GLY . 59.6 t -63.83 -48.52 85.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.66 172.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.892 178.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . 0.812 ' HB2' HD12 ' A' ' 951' ' ' LEU . . . -61.62 -41.7 97.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.622 ' O ' HG23 ' A' 1008 ' ' VAL . . . -65.39 -46.54 79.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.684 178.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . 0.477 ' HE3' HG12 ' A' 1001 ' ' VAL . 98.6 mttt -60.56 -27.82 67.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 111.343 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -88.25 -24.78 23.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.715 -177.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . 0.454 ' O ' HG13 ' A' 1011 ' ' ILE . 7.0 p -87.77 -31.53 19.58 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 -177.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' 1004 ' ' ALA . 69.4 t -49.97 -54.64 30.72 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 179.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' 1008 ' ' VAL . 43.3 Cg_endo -68.4 -21.32 40.98 Favored 'Trans proline' 0 C--N 1.353 0.765 0 C-N-CA 121.79 1.66 . . . . 0.0 113.031 -178.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 47.0 p -88.27 -18.7 28.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.701 0.286 . . . . 0.0 111.414 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.501 HD13 ' HB1' ' A' ' 938' ' ' ALA . 85.6 mt -90.69 119.8 38.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.073 0.463 . . . . 0.0 110.278 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -80.64 -15.87 55.48 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.131 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 24.8 t70 -78.45 107.84 11.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 174.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -67.71 -31.91 72.18 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.414 -173.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -60.66 -45.6 93.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.038 0.447 . . . . 0.0 110.966 179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . 0.419 ' HB3' ' CB ' ' A' ' 938' ' ' ALA . 15.0 m -72.8 -46.31 53.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.56 177.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -61.72 -46.64 88.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.959 -176.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 90.1 mmm -70.1 -34.31 72.97 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 121.233 -0.187 . . . . 0.0 111.313 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -68.82 -38.26 79.74 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.505 -0.478 . . . . 0.0 109.776 177.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.453 HD21 ' HA ' ' A' ' 935' ' ' ALA . 16.9 mt -61.42 -46.25 90.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.401 172.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 46.0 t -55.93 -45.16 78.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.577 177.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -60.59 -53.06 62.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.922 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . 0.463 ' HB3' ' OG1' ' A' ' 931' ' ' THR . 64.5 m -61.72 -48.98 78.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.135 -177.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.09 -29.04 70.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.872 0.367 . . . . 0.0 111.182 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -69.42 -52.4 27.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.23 178.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -67.33 -42.66 83.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.946 -178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' 1031 ' ' LEU . 51.7 tp -62.21 -41.69 98.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.703 0.287 . . . . 0.0 110.418 178.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.08 -47.49 90.53 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.082 177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 8.1 m -69.86 -33.48 72.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.843 0.354 . . . . 0.0 110.734 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -63.53 -40.45 97.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.865 0.364 . . . . 0.0 110.061 177.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . 0.452 HD22 HD23 ' A' ' 994' ' ' LEU . 94.8 mt -65.57 -36.62 84.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.068 174.416 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -60.5 -45.76 92.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.353 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -82.2 -16.46 49.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.213 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 52.2 tp -83.14 -47.78 11.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.893 0.378 . . . . 0.0 110.555 177.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . 0.469 ' HA ' HD11 ' A' ' 994' ' ' LEU . 38.4 ttp180 -55.19 -52.75 62.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.184 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . 0.48 ' O ' ' HG2' ' A' 1040 ' ' LYS . 7.0 m -62.94 -36.43 83.42 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.72 -178.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . 0.525 ' HB1' ' HG3' ' A' ' 916' ' ' ARG . . . -67.61 -44.38 78.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.178 -178.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -63.31 -33.8 76.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.58 179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -62.43 -44.71 95.77 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.801 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' 1036 ' ' THR . 72.4 mmtt -60.29 -47.39 86.24 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.795 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . 0.587 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -62.89 -22.77 66.96 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.191 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -92.15 -45.58 8.19 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.333 -178.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' A' 1040 ' ' LYS . 11.7 pt-20 -74.86 -31.54 61.66 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -172.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . 0.574 ' HB3' HD11 ' A' ' 913' ' ' LEU . . . . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.78 -177.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 N-CA-C 111.635 -0.586 . . . . 0.0 111.635 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 64.1 mt -88.43 109.95 20.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 174.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . 0.491 ' HB3' ' HD2' ' A' ' 911' ' ' PHE . 30.7 m-20 -83.01 130.2 58.4 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.556 -176.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -86.63 9.18 4.1 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.752 2.301 . . . . 0.0 111.425 173.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . 0.491 ' HD2' ' HB3' ' A' ' 909' ' ' ASP . 92.4 m-85 -81.92 170.14 15.97 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.845 -176.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 3.6 t -71.29 162.44 29.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.543 0.687 . . . . 0.0 111.821 -178.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.693 HD23 HH11 ' A' ' 916' ' ' ARG . 85.8 mt -60.35 -30.89 69.83 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.79 -1.095 . . . . 0.0 111.78 -177.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . 0.465 HG12 ' NE2' ' A' ' 983' ' ' GLN . 13.5 m -78.76 -24.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.941 -178.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.04 -49.35 37.46 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 -177.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . 0.693 HH11 HD23 ' A' ' 913' ' ' LEU . 8.4 ptp85 -62.26 -29.11 70.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.167 175.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . 0.675 HD22 HD22 ' A' ' 986' ' ' LEU . 0.9 OUTLIER -66.49 -51.75 53.43 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 176.398 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.552 ' HB3' ' HE3' ' A' ' 922' ' ' LYS . 54.1 mt-10 -51.11 -49.7 60.24 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.734 176.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -56.26 -37.71 70.15 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.144 -177.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -80.52 -37.46 31.58 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.161 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.55 -42.31 92.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.446 -178.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . 0.552 ' HE3' ' HB3' ' A' ' 918' ' ' GLU . 80.8 mttt -60.94 -47.67 85.33 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.51 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -71.16 -32.07 68.48 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.021 -176.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.38 -46.98 77.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.935 0.398 . . . . 0.0 110.014 176.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . 0.4 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -59.4 -43.82 92.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.62 177.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.85 -52.72 48.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.312 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 6.3 t -62.35 -38.0 87.84 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.978 -175.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . 0.548 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -60.84 -42.78 98.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.703 177.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 29.4 m -62.3 -37.09 84.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.539 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . 0.412 ' HA ' ' OE1' ' A' ' 930' ' ' GLN . 9.0 mm-40 -70.48 -38.24 74.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.357 178.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . 0.417 HG23 ' SG ' ' A' 1023 ' ' CYS . 26.8 m -65.12 -41.68 94.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.258 177.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.736 HG23 ' SG ' ' A' ' 956' ' ' CYS . 73.8 mt -57.84 -48.57 83.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.595 176.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -55.71 -49.12 73.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.045 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.55 94.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.96 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -59.86 -44.69 94.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.764 -178.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 92.0 mt-30 -70.3 -29.47 66.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.67 -177.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 61.0 m-70 -86.71 -40.63 14.87 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 111.801 0.297 . . . . 0.0 111.801 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . 0.61 ' HB1' HD13 ' A' 1011 ' ' ILE . . . -79.2 -43.85 23.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.651 0.262 . . . . 0.0 111.067 -178.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 940' ' ' SER . . . 58.83 -92.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 123.78 0.832 . . . . 0.0 112.261 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . 0.735 ' HA ' HG12 ' A' 1011 ' ' ILE . 32.3 t 174.88 -29.68 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.552 0.575 . . . . 0.0 112.552 -175.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . 0.502 ' HB2' ' H ' ' A' ' 947' ' ' GLY . . . -64.88 114.25 14.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -174.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . 0.688 ' HB3' ' HB2' ' A' 1012 ' ' GLN . 76.3 Cg_endo -80.96 -9.04 13.13 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.7 2.266 . . . . 0.0 112.348 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -146.58 -80.73 0.15 Allowed 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.627 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -147.75 -70.29 0.23 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.353 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 9.1 m -65.25 94.08 0.15 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.582 -176.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' A' ' 941' ' ' ALA . . . 175.75 -54.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.084 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . 0.502 ' H ' ' HB2' ' A' ' 941' ' ' ALA . . . 62.73 -171.34 11.53 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 114.953 -1.021 . . . . 0.0 113.16 178.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -75.59 126.57 9.68 Favored 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 122.821 2.347 . . . . 0.0 110.716 173.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . 0.446 ' NE2' ' HA ' ' A' 1007 ' ' SER . 45.7 mt-30 -60.13 131.61 89.76 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.052 -177.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -52.04 -41.71 62.84 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 123.36 2.707 . . . . 0.0 112.924 -178.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.16 -39.46 89.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . 0.449 ' HA ' ' HB1' ' A' 1003 ' ' ALA . 59.2 tp -63.97 -45.92 86.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.334 178.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . . . . . . . . . 91.0 t -64.77 -44.87 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.121 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -58.96 -51.09 71.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . . . . . . . . . 18.1 p -66.11 -36.6 83.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.73 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . 0.736 ' SG ' HG23 ' A' ' 932' ' ' ILE . 38.6 t -55.61 -48.71 74.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.933 176.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' A' ' 961' ' ' GLU . 99.1 mttt -71.49 -40.48 70.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.763 179.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -56.14 -48.33 76.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.976 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 963' ' ' ILE . 78.8 t -64.08 -41.74 93.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.917 179.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -58.24 -27.26 63.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.694 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 14.8 mm-40 -83.25 -26.47 30.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.131 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . 0.736 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 85.7 mm-40 -88.06 -26.49 22.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.331 -175.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.601 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 81.9 mt -52.67 -51.41 73.82 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.601 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 32.3 Cg_exo -57.89 -30.37 89.39 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.127 1.885 . . . . 0.0 112.591 178.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 67.8 mt -68.3 -38.79 82.0 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.544 0.211 . . . . 0.0 110.768 179.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.608 ' O ' HG23 ' A' ' 970' ' ' VAL . 82.2 mt -57.24 -60.82 3.05 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.064 0.459 . . . . 0.0 110.085 175.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . 0.65 ' O ' ' HG2' ' A' ' 971' ' ' ARG . 93.7 t -58.97 -41.2 82.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.308 -176.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.62 -41.58 86.24 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.018 0.437 . . . . 0.0 110.078 176.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -65.96 -43.99 92.56 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.912 -0.661 . . . . 0.0 111.76 176.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 966' ' ' LEU . 46.6 t -56.8 -60.12 2.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.831 0.348 . . . . 0.0 110.619 178.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 967' ' ' VAL . 10.8 ptp180 -63.85 -33.55 75.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.179 -178.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -66.59 -38.51 93.37 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.137 178.013 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 92.6 p -74.1 -20.34 60.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.917 0.389 . . . . 0.0 110.69 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 88.9 mt-30 -84.67 -31.83 23.94 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.476 176.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -66.16 -52.68 45.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.618 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -124.79 77.28 65.2 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.801 177.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -73.93 -14.42 23.88 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.413 2.075 . . . . 0.0 111.363 178.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -73.57 -16.53 61.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.962 176.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 45.7 t -102.68 117.56 60.51 Favored Pre-proline 0 N--CA 1.448 -0.563 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.409 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.474 ' O ' ' HG3' ' A' ' 983' ' ' GLN . 28.3 Cg_endo -64.27 -32.59 61.77 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.397 2.065 . . . . 0.0 112.123 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 6.3 p -68.28 -23.45 64.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.83 0.348 . . . . 0.0 110.901 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -73.73 -39.15 64.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.572 176.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 980' ' ' PRO . 0.0 OUTLIER -77.33 -28.79 53.27 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.463 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . 0.569 HD13 HD12 ' A' ' 987' ' ' ILE . 2.6 mm? -65.66 -33.68 76.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.058 173.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.85 -30.3 71.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.461 175.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . 0.675 HD22 HD22 ' A' ' 917' ' ' LEU . 0.5 OUTLIER -68.78 -49.57 57.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 174.496 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . 0.569 HD12 HD13 ' A' ' 984' ' ' LEU . 68.0 mt -57.77 -49.49 80.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.079 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -56.37 -48.2 77.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.073 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -63.18 -40.05 96.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.052 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.599 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 46.1 m -59.97 -50.02 75.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.926 179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . 0.732 ' HA ' HD12 ' A' ' 994' ' ' LEU . 76.5 mt-30 -69.04 -30.57 68.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 26.7 t -68.54 -26.8 65.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.197 176.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.548 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 88.5 t80 -86.57 -33.92 20.08 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.862 179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 991' ' ' GLN . 89.8 mt -55.05 -42.09 72.27 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.613 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.819 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 49.0 tt0 -59.13 -62.13 6.45 Favored Pre-proline 0 CA--C 1.543 0.684 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.994 -177.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.819 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 14.2 Cg_exo -70.23 -35.28 11.54 Favored 'Trans proline' 0 C--N 1.355 0.915 0 C-N-CA 121.945 1.763 . . . . 0.0 111.978 179.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.442 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.66 -46.16 94.99 Favored Glycine 0 N--CA 1.45 -0.377 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.147 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -63.97 -29.24 74.29 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.24 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -73.58 -32.58 64.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.522 0.201 . . . . 0.0 111.009 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . 0.454 ' SD ' ' HA ' ' A' ' 956' ' ' CYS . 50.9 ttp -73.9 -30.21 62.48 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 997' ' ' GLY . 54.7 t -62.25 -46.9 95.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 173.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -63.92 -44.53 92.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.654 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . 0.449 ' HB1' ' HA ' ' A' ' 952' ' ' LEU . . . -61.52 -44.83 96.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.145 179.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.447 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.22 -48.22 82.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.944 0.402 . . . . 0.0 110.633 178.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 66.2 mttm -61.55 -33.47 73.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.153 178.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -79.92 -7.59 58.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.25 -178.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . 0.653 ' O ' HG13 ' A' 1011 ' ' ILE . 21.4 m -97.94 -25.74 14.89 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.063 0.459 . . . . 0.0 110.121 178.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.705 HG13 ' HB1' ' A' 1017 ' ' ALA . 82.2 t -51.56 -54.29 40.87 Favored Pre-proline 0 CA--C 1.544 0.729 0 CA-C-N 115.619 -0.718 . . . . 0.0 112.897 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . 0.475 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 81.9 Cg_endo -76.75 -8.71 18.16 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 121.925 1.75 . . . . 0.0 113.942 -175.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 16.0 p -99.62 -18.96 17.07 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.014 -0.274 . . . . 0.0 111.706 -177.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.735 HG12 ' HA ' ' A' ' 940' ' ' SER . 76.7 mt -66.54 -32.04 56.24 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 120.941 0.401 . . . . 0.0 111.306 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . 0.688 ' HB2' ' HB3' ' A' ' 942' ' ' PRO . 15.4 mm100 60.57 29.12 18.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.092 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . 0.507 ' HB3' HG22 ' A' 1011 ' ' ILE . 27.5 t70 -138.5 109.28 6.67 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.252 177.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -52.4 -45.26 65.79 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.824 -0.625 . . . . 0.0 112.039 -175.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.91 -55.18 38.51 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.514 -177.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . 0.501 ' HB2' HG21 ' A' 1011 ' ' ILE . 15.3 m -65.9 -35.65 81.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.889 0.376 . . . . 0.0 110.805 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.705 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -63.69 -47.45 81.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.091 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 24.8 mmt -67.01 -30.09 70.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -63.36 -48.74 76.7 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 177.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.614 ' HA ' ' SG ' ' A' 1023 ' ' CYS . 13.9 mt -63.62 -39.88 95.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.147 177.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 42.4 t -59.24 -41.65 89.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.468 177.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -66.17 -48.95 69.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.365 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . 0.614 ' SG ' ' HA ' ' A' 1020 ' ' LEU . 25.8 p -66.01 -38.86 89.53 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.881 -177.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.41 72.09 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.933 0.397 . . . . 0.0 110.627 177.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -65.89 -49.94 66.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.909 177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -62.16 -50.13 73.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.684 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 48.1 tp -61.79 -38.46 88.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.811 -178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.71 -47.37 90.61 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.528 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.4 m -73.66 -33.25 64.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.911 0.386 . . . . 0.0 110.759 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -60.76 -44.69 96.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.181 177.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . 0.476 HD22 HD23 ' A' ' 994' ' ' LEU . 96.1 mt -68.51 -33.93 75.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.605 176.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.3 -57.52 11.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.835 -177.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.83 -20.08 50.51 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.168 -0.613 . . . . 0.0 110.979 -177.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 67.7 tp -66.11 -48.1 71.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.292 0.568 . . . . 0.0 109.575 174.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -65.39 -23.53 66.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.543 178.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 39.6 m -83.61 -50.28 8.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.075 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -62.95 -47.06 84.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.443 -177.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . 0.421 ' HB1' HG23 ' A' ' 987' ' ' ILE . . . -62.96 -34.7 78.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.589 179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' 1043 ' ' GLU . 8.7 tt0 -65.97 -50.32 64.73 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.261 178.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 57.1 mtmt -61.45 -35.14 76.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.42 -179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . 0.495 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -72.56 -33.47 66.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 177.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -74.99 -39.71 61.1 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.362 -177.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' 1039 ' ' GLN . 12.4 pt-20 -81.81 6.39 15.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.801 0.334 . . . . 0.0 111.478 -178.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.974 0 CA-C-O 118.562 -0.733 . . . . 0.0 110.04 175.431 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.668 0 N-CA-C 111.767 -0.533 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 5.8 tp -82.84 78.47 1.29 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 122.102 0.953 . . . . 0.0 110.489 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -124.89 86.56 56.21 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.199 -0.909 . . . . 0.0 109.79 176.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -89.75 -160.61 0.1 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.817 0 C-N-CA 123.057 2.505 . . . . 0.0 111.804 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 35.7 p90 -117.1 154.75 30.48 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.275 178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 38.7 p -86.74 175.86 8.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.465 -176.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 91.6 mt -65.97 -40.62 91.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.147 175.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . 0.465 HG11 ' HG2' ' A' ' 983' ' ' GLN . 35.5 m -69.16 -27.18 33.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 178.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -62.58 -36.16 81.82 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-O 120.675 0.274 . . . . 0.0 110.661 175.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -67.29 -41.55 85.25 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 175.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . 0.444 ' CB ' HD13 ' A' ' 986' ' ' LEU . 73.6 mt -60.35 -49.25 78.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.566 177.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -55.91 -52.35 64.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.084 0.469 . . . . 0.0 110.174 175.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -55.02 -51.0 67.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.173 -178.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -71.0 -42.49 69.55 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.61 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -63.91 -40.57 96.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -177.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -65.04 -41.62 95.02 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 121.117 -0.233 . . . . 0.0 111.101 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -79.24 -27.73 42.43 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.976 -0.29 . . . . 0.0 110.709 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.22 -47.96 66.45 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.77 -39.32 80.66 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.591 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -66.14 -57.12 8.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.888 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 69.4 m -59.53 -36.31 75.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.472 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . 0.48 ' HB1' HG11 ' A' ' 959' ' ' VAL . . . -61.15 -52.21 65.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.805 178.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 17.7 m -60.17 -38.99 84.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.458 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -65.12 -41.43 94.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.054 177.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 28.2 m -67.2 -35.31 79.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.527 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.573 HG23 ' HB3' ' A' ' 956' ' ' CYS . 91.6 mt -61.82 -48.77 87.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.99 0.424 . . . . 0.0 110.197 175.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -60.84 -41.54 95.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.582 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -66.15 -45.54 80.59 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.965 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.62 ' HA ' HD21 ' A' 1020 ' ' LEU . . . -60.23 -34.06 73.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.394 -177.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -97.38 9.12 43.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.628 -177.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 24.8 t-80 -126.58 -35.29 2.36 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.183 178.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -68.43 -44.25 75.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.747 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -71.8 89.17 1.04 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.161 178.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 14.2 m -82.44 116.35 21.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.563 -177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -89.1 117.05 67.87 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.075 -178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -85.33 10.34 3.76 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.882 2.388 . . . . 0.0 111.896 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -174.56 -163.34 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.566 -179.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -49.72 -51.33 39.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.58 0.229 . . . . 0.0 110.645 177.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 11.4 t 73.32 -53.34 0.7 Allowed 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 123.638 0.775 . . . . 0.0 112.173 171.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -77.12 82.14 3.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.018 0.437 . . . . 0.0 111.715 -175.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . -78.94 -77.94 0.87 Allowed Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 110.32 -1.112 . . . . 0.0 110.32 171.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -76.61 154.03 34.77 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.407 2.071 . . . . 0.0 110.431 167.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . 0.404 ' HA ' ' HD3' ' A' ' 950' ' ' PRO . 8.9 pt20 -56.27 121.03 39.51 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-O 120.926 0.393 . . . . 0.0 111.178 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . 0.607 ' O ' ' HG2' ' A' ' 954' ' ' GLN . 16.7 Cg_exo -68.12 125.03 12.45 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.715 2.277 . . . . 0.0 111.41 176.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.655 HD12 ' HB2' ' A' 1003 ' ' ALA . 0.2 OUTLIER -60.79 -29.76 69.64 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.293 -177.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . . . . . . . . . 83.4 mt -53.04 -69.48 0.11 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.445 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . 0.531 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 21.0 m -59.23 -36.53 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -174.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . 0.607 ' HG2' ' O ' ' A' ' 950' ' ' PRO . 65.2 mm-40 -61.38 -41.28 96.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.848 0.356 . . . . 0.0 110.504 179.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 959' ' ' VAL . 19.7 m -75.09 -41.04 59.58 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.376 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . 0.573 ' HB3' HG23 ' A' ' 932' ' ' ILE . 88.4 m -53.73 -46.28 70.79 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.398 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.577 ' O ' ' HG2' ' A' ' 961' ' ' GLU . 8.6 mtmp? -62.63 -44.71 95.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.568 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.5 99.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.627 ' O ' HG13 ' A' ' 963' ' ' ILE . 93.1 t -63.73 -47.2 92.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.341 177.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . 0.422 ' HA ' HD12 ' A' ' 963' ' ' ILE . . . -59.35 -27.42 65.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.87 -177.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 22.6 mm-40 -73.44 -34.17 65.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.9 0.381 . . . . 0.0 111.108 178.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . 0.43 ' HA ' ' OE1' ' A' ' 962' ' ' GLN . 14.3 mm-40 -90.67 -20.84 22.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.459 . . . . 0.0 112.097 -173.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.627 HG13 ' O ' ' A' ' 959' ' ' VAL . 85.1 mt -55.35 -55.3 41.3 Favored Pre-proline 0 CA--C 1.537 0.461 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.481 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 16.1 Cg_endo -58.46 -30.57 91.95 Favored 'Trans proline' 0 C--N 1.355 0.872 0 C-N-CA 122.386 2.058 . . . . 0.0 112.517 -179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 78.2 mt -77.48 -37.09 52.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.0 0.429 . . . . 0.0 110.386 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.541 ' O ' HG23 ' A' ' 970' ' ' VAL . 46.4 tp -62.61 -50.63 70.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.649 176.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . 0.449 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 98.5 t -64.61 -34.25 68.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.838 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . 0.438 ' OE1' ' HA ' ' A' ' 968' ' ' GLN . 6.8 tp60 -61.11 -45.53 94.33 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 176.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -58.27 -40.42 93.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.564 174.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 966' ' ' LEU . 60.1 t -61.61 -45.49 98.55 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-O 120.63 0.252 . . . . 0.0 110.505 176.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . 0.453 ' HA ' HE21 ' A' ' 974' ' ' GLN . 19.3 mtp180 -56.74 -50.17 73.03 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.327 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -61.55 -32.73 82.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.005 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 50.4 m -78.5 -33.35 48.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.702 0.287 . . . . 0.0 111.183 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 50.0 mt-30 -63.3 -32.63 74.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.128 0.49 . . . . 0.0 109.941 174.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -81.45 -53.05 6.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.628 177.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -124.88 90.32 51.18 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.169 -177.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.45 -25.39 13.12 Favored 'Trans proline' 0 CA--C 1.529 0.229 0 C-N-CA 122.55 2.167 . . . . 0.0 112.162 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -87.39 -5.01 59.03 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.545 -178.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 33.4 t -75.07 122.0 86.48 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.078 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.43 -34.91 97.3 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 123.032 2.488 . . . . 0.0 111.672 174.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 13.1 t -67.42 -41.88 84.11 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.226 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -68.96 -44.66 72.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.644 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . 0.465 ' HG2' HG11 ' A' ' 914' ' ' VAL . 60.4 mt-30 -56.08 -51.55 67.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.436 175.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 32.4 tp -60.75 -40.53 92.8 Favored 'General case' 0 N--CA 1.44 -0.93 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.764 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -57.96 -49.22 77.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 176.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . 0.444 HD13 ' CB ' ' A' ' 917' ' ' LEU . 19.6 mt -56.22 -58.34 8.36 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.006 176.572 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' 1042 ' ' GLN . 61.7 mt -57.12 -46.6 84.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.566 -175.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -67.64 -48.76 65.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.275 -179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.87 -34.04 75.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.95 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.688 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 69.3 m -61.65 -49.27 77.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.622 177.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . 0.59 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.7 mt-30 -66.12 -37.04 84.74 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.049 -178.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 50.7 m -75.88 -5.96 48.53 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-O 120.943 0.402 . . . . 0.0 111.214 177.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -102.4 -33.51 9.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.02 0.438 . . . . 0.0 110.012 177.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.688 ' HG ' ' O ' ' A' ' 990' ' ' SER . 73.3 mt -58.34 -42.97 88.02 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.398 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.845 HE21 ' HA ' ' A' ' 995' ' ' GLN . 0.0 OUTLIER -62.19 -59.27 13.52 Favored Pre-proline 0 CA--C 1.541 0.605 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.553 -177.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.827 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 37.1 Cg_exo -61.37 -38.83 61.5 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.944 1.763 . . . . 0.0 111.958 177.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.65 -49.39 79.14 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 121.019 -0.61 . . . . 0.0 111.961 179.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.27 -34.81 86.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.207 178.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . 0.461 ' HE2' ' HG3' ' A' ' 995' ' ' GLN . 67.8 mttm -60.19 -44.15 95.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.765 0.316 . . . . 0.0 110.695 176.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 49.3 ttp -74.69 -31.7 61.97 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 120.903 -0.319 . . . . 0.0 110.52 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 997' ' ' GLY . 96.6 t -60.71 -49.18 85.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 174.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -62.26 -47.1 85.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.704 178.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . 0.655 ' HB2' HD12 ' A' ' 951' ' ' LEU . . . -59.06 -45.05 91.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.185 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.65 -51.27 70.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.725 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 67.9 mttm -60.18 -32.92 71.53 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.415 -179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -78.88 -23.76 44.66 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 -178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . 0.515 ' O ' HG13 ' A' 1011 ' ' ILE . 23.1 t -86.54 -27.78 23.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.974 -179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' 1004 ' ' ALA . 69.7 t -47.47 -52.07 39.38 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.55 -14.36 27.59 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 121.761 1.64 . . . . 0.0 113.206 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 34.2 p -97.76 4.09 49.94 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.837 0.351 . . . . 0.0 111.698 -177.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.574 HD11 HD12 ' A' 1020 ' ' LEU . 67.8 mt -88.87 132.1 34.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.848 0.356 . . . . 0.0 110.085 177.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -64.64 -31.69 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.573 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . 0.458 ' H ' HG22 ' A' 1011 ' ' ILE . 26.7 t70 -102.14 124.82 48.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.96 0.409 . . . . 0.0 110.768 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -66.62 -38.28 86.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.78 -176.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.16 82.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.63 0.252 . . . . 0.0 111.209 -179.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . 0.568 ' O ' ' HB3' ' A' 1019 ' ' GLN . 6.8 p -69.62 -25.92 64.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.824 0.345 . . . . 0.0 110.941 177.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.564 ' HA ' HD12 ' A' 1011 ' ' ILE . . . -66.54 -41.32 88.91 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.294 0.569 . . . . 0.0 110.403 174.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 93.7 mmm -70.92 -19.9 62.54 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.624 178.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . 0.568 ' HB3' ' O ' ' A' 1016 ' ' SER . 7.4 tt0 -63.09 -49.04 76.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.059 175.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.62 HD21 ' HA ' ' A' ' 935' ' ' ALA . 15.4 mt -64.76 -40.44 95.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.684 176.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 20.1 m -58.29 -43.78 88.2 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.968 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.7 -47.21 79.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.052 178.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 65.6 m -64.83 -44.57 89.38 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.098 -177.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -63.39 -29.08 70.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.839 0.352 . . . . 0.0 110.987 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -68.9 -47.71 65.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.977 0.417 . . . . 0.0 110.258 177.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -67.62 -44.04 78.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.794 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.36 -42.67 96.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.405 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.62 98.76 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.359 178.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 18.1 m -75.06 -31.57 61.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.003 0.43 . . . . 0.0 110.472 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -63.35 -47.05 83.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.086 175.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . 0.448 HD22 HD23 ' A' ' 994' ' ' LEU . 96.6 mt -65.05 -34.84 79.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.338 176.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -57.04 -47.38 81.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.748 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -63.4 -54.61 34.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.99 0.424 . . . . 0.0 110.471 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . 0.448 ' HG ' ' HB3' ' A' ' 990' ' ' SER . 22.9 tp -55.54 -47.71 75.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.575 -174.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -63.76 -43.36 96.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.056 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 26.9 m -69.76 -41.22 75.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.794 -178.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -65.11 -44.85 87.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.952 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -66.5 -31.93 72.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.85 -46.09 89.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.969 0.414 . . . . 0.0 110.054 178.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.48 -45.08 76.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.963 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -70.2 -30.23 67.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.011 -175.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . 0.412 ' HA ' HD13 ' A' ' 987' ' ' ILE . 7.7 tt0 -60.85 -39.68 90.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.111 0.481 . . . . 0.0 111.044 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -106.73 17.17 23.57 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.299 -175.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.324 -0.846 . . . . 0.0 110.827 -179.011 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.808 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 10.3 tt -84.42 137.23 21.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.81 0.305 . . . . 0.0 110.286 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -80.92 126.44 77.54 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.82 84.02 1.51 Allowed 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.397 2.064 . . . . 0.0 112.449 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -74.3 138.61 43.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.011 176.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . 0.402 ' O ' ' HG3' ' A' ' 916' ' ' ARG . 58.1 p -74.78 162.81 28.33 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 175.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.518 HD13 ' HA ' ' A' 1041 ' ' ALA . 92.1 mt -61.94 -38.52 88.75 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.912 0.387 . . . . 0.0 110.39 179.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . 0.468 HG11 ' HG2' ' A' ' 983' ' ' GLN . 29.1 m -74.46 -33.61 33.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.329 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -63.52 -36.01 82.37 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.153 0.501 . . . . 0.0 109.972 176.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 912' ' ' THR . 35.3 mtp180 -61.28 -48.57 80.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.603 174.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . 0.429 ' CB ' HD13 ' A' ' 986' ' ' LEU . 83.5 mt -57.79 -47.37 82.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.694 177.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.572 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 52.4 mt-10 -50.88 -58.54 5.74 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.515 0.509 . . . . 0.0 110.95 177.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -66.89 -41.13 87.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.638 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -68.59 -44.67 73.86 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.574 -0.284 . . . . 0.0 111.31 -177.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -61.94 -33.65 74.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.372 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . 0.572 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 97.4 mttt -60.11 -51.54 69.17 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.779 178.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -78.69 -29.68 45.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.107 -177.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.25 -45.23 85.4 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -62.82 -37.87 88.49 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.547 177.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -69.57 -51.8 32.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.045 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 23.3 t -61.54 -35.25 77.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.789 -178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . 0.596 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -59.84 -46.3 89.7 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 175.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 57.1 m -58.28 -40.85 83.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.586 178.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -65.61 -44.42 86.6 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.717 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 12.2 m -65.94 -42.09 90.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.716 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 928' ' ' ALA . 70.8 mt -63.22 -42.97 98.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.817 0.341 . . . . 0.0 110.259 177.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -58.41 -43.23 88.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.485 178.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -67.17 -43.8 81.31 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.704 177.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.21 97.44 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.146 0.425 . . . . 0.0 112.146 -176.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 56.1 mt-30 -64.42 -28.69 69.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.932 0.396 . . . . 0.0 110.823 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 62.0 m-70 -96.82 2.76 52.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.049 0.452 . . . . 0.0 110.356 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . 0.49 ' HB1' HD11 ' A' 1011 ' ' ILE . . . -94.49 9.32 38.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.246 0.546 . . . . 0.0 110.609 -178.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -85.15 12.56 7.63 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.165 176.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 15.7 t -66.29 139.73 58.08 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 115.507 -0.77 . . . . 0.0 109.864 178.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . 68.33 109.3 0.03 OUTLIER Pre-proline 0 C--O 1.237 0.396 0 O-C-N 124.39 1.056 . . . . 0.0 111.278 -178.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -49.51 114.84 1.48 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.93 2.42 . . . . 0.0 111.324 177.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . 0.472 ' NZ ' ' HB3' ' A' ' 943' ' ' LYS . 0.2 OUTLIER -109.3 162.01 14.72 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.863 -171.754 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -78.21 78.88 4.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.101 0.477 . . . . 0.0 111.238 -177.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 8.3 t -161.13 93.22 0.95 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 178.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -71.9 137.82 47.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.154 -178.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . 0.443 ' HA2' ' HD3' ' A' ' 948' ' ' PRO . . . 128.7 140.66 5.0 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.681 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.443 ' HD3' ' HA2' ' A' ' 947' ' ' GLY . 22.0 Cg_exo -64.05 -24.45 66.72 Favored 'Trans proline' 0 CA--C 1.517 -0.358 0 C-N-CA 122.702 2.268 . . . . 0.0 111.894 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . 0.534 ' HB3' ' HB2' ' A' ' 954' ' ' GLN . 64.9 mt-30 -124.52 81.57 59.71 Favored Pre-proline 0 C--N 1.31 -1.146 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.612 176.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -58.57 -54.8 2.56 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.457 2.105 . . . . 0.0 111.372 -178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.662 ' HG ' ' HB2' ' A' 1003 ' ' ALA . 11.8 tp -168.19 -55.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.508 176.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . 0.592 HD21 ' HA ' ' A' 1004 ' ' ALA . 81.6 mt -49.19 -65.48 0.56 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.437 176.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 42.6 t -52.14 -39.75 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.489 -177.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . 0.534 ' HB2' ' HB3' ' A' ' 949' ' ' GLN . 0.2 OUTLIER -60.33 -53.48 57.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.885 -179.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . 0.481 ' O ' HG23 ' A' ' 959' ' ' VAL . 35.7 m -69.77 -36.37 75.69 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.26 -177.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 98.2 m -58.76 -35.44 72.76 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.605 0.24 . . . . 0.0 111.159 178.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 68.1 mttm -62.56 -47.13 85.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.771 177.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -67.52 -46.16 73.64 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.005 -178.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 963' ' ' ILE . 93.8 t -61.05 -43.69 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.327 -178.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -61.72 -26.34 67.99 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.047 0.388 . . . . 0.0 112.047 -176.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -80.39 -25.92 38.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.994 0.426 . . . . 0.0 110.564 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -86.61 -26.03 24.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.471 -176.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 959' ' ' VAL . 77.0 mt -53.4 -55.7 31.98 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 21.5 Cg_endo -61.86 -28.91 81.89 Favored 'Trans proline' 0 C--N 1.355 0.882 0 C-N-CA 122.053 1.835 . . . . 0.0 112.209 179.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 68.5 mt -69.32 -40.38 77.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.847 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 970' ' ' VAL . 78.8 mt -56.57 -59.0 5.64 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.121 0.486 . . . . 0.0 110.06 174.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . 0.598 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 57.3 t -61.6 -35.72 68.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.37 -176.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -58.49 -42.85 88.5 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.103 0.478 . . . . 0.0 109.83 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -67.47 -38.4 90.78 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.97 176.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 966' ' ' LEU . 41.2 t -62.18 -38.55 81.26 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-O 120.938 0.399 . . . . 0.0 110.881 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' A' ' 967' ' ' VAL . 23.1 mtm180 -64.94 -34.17 77.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.689 179.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -77.28 -43.15 16.97 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.29 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 2.8 p -66.01 -36.98 84.75 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.24 -21.39 66.57 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.687 0.279 . . . . 0.0 111.245 178.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -92.61 -52.03 4.83 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.04 0.448 . . . . 0.0 110.514 177.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -130.87 94.91 27.18 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.63 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.35 -4.35 14.16 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.273 1.982 . . . . 0.0 112.129 176.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.41 -1.69 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.725 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 980' ' ' PRO . 49.8 p -92.71 128.73 42.87 Favored Pre-proline 0 C--N 1.324 -0.521 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.378 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 979' ' ' SER . 34.0 Cg_exo -57.65 -32.77 95.41 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.572 2.182 . . . . 0.0 111.935 -179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 18.5 m -60.94 -47.78 84.84 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.862 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -70.96 -37.0 72.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.816 0.341 . . . . 0.0 110.834 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . 0.468 ' HG2' HG11 ' A' ' 914' ' ' VAL . 59.9 mt-30 -61.1 -55.42 32.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.5 177.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 984' ' ' LEU . 4.4 mm? -63.97 -31.38 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.033 -179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.56 83.16 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.844 0.355 . . . . 0.0 110.43 175.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . 0.429 HD13 ' CB ' ' A' ' 917' ' ' LEU . 35.4 mt -75.27 -57.03 4.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 175.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . . . . . . . . . 86.8 mt -52.14 -52.62 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.139 -174.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.64 75.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.171 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -66.95 -33.55 75.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.246 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.679 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 48.8 m -64.5 -43.75 93.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . 0.475 ' HA ' HD12 ' A' ' 994' ' ' LEU . 77.7 mt-30 -65.85 -39.08 90.44 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.068 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 45.0 p -76.84 -5.95 50.39 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.831 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.596 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 89.5 t80 -99.85 -38.67 8.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.153 177.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.679 ' HG ' ' O ' ' A' ' 990' ' ' SER . 81.2 mt -54.34 -48.45 71.4 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.724 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.515 ' HG2' ' HE2' ' A' ' 999' ' ' LYS . 32.9 tt0 -63.14 -60.25 10.11 Favored Pre-proline 0 CA--C 1.537 0.451 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.162 -174.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.408 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 35.8 Cg_endo -64.91 -32.42 54.85 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 121.721 1.614 . . . . 0.0 112.086 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.527 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.25 -47.51 89.21 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 177.002 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.87 -35.77 92.47 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.202 -0.523 . . . . 0.0 112.031 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . 0.515 ' HE2' ' HG2' ' A' ' 995' ' ' GLN . 68.7 mttm -58.21 -45.47 87.6 Favored 'General case' 0 CA--C 1.52 -0.193 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 174.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 46.7 ttp -70.91 -30.55 66.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.972 -177.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 997' ' ' GLY . 94.4 t -62.16 -46.05 97.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.217 0.532 . . . . 0.0 109.782 173.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.51 86.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.35 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . 0.662 ' HB2' ' HG ' ' A' ' 951' ' ' LEU . . . -57.98 -45.93 85.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.015 177.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.592 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -56.2 -56.71 17.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.989 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.1 mttt -60.88 -35.69 77.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.931 -177.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -78.6 -18.0 55.23 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 111.878 0.325 . . . . 0.0 111.878 -176.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . . . . . . . . . 36.1 m -94.03 -24.61 17.55 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.241 -0.184 . . . . 0.0 111.325 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.692 HG13 ' HB1' ' A' 1017 ' ' ALA . 70.3 t -49.19 -51.82 53.55 Favored Pre-proline 0 CA--C 1.543 0.694 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -178.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' 1008 ' ' VAL . 18.8 Cg_endo -58.83 -21.23 56.01 Favored 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.385 2.057 . . . . 0.0 113.834 -176.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 31.6 p -90.45 -5.8 55.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.041 0.448 . . . . 0.0 111.03 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.49 HD11 ' HB1' ' A' ' 938' ' ' ALA . 51.9 mt -96.13 121.89 47.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.784 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . 0.437 ' HA ' ' OE1' ' A' 1012 ' ' GLN . 7.8 mm-40 -84.87 -23.11 29.11 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.96 0.41 . . . . 0.0 110.301 -176.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 28.2 t70 -72.59 113.61 9.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.834 174.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.504 ' O ' ' HG3' ' A' 1018 ' ' MET . 43.1 mt-30 -60.62 -49.36 77.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.3 -175.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -55.71 -52.7 62.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.121 -174.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 15.8 m -65.93 -37.07 85.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.654 0.264 . . . . 0.0 111.123 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.692 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -65.31 -44.27 88.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 110.779 178.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . 0.504 ' HG3' ' O ' ' A' 1014 ' ' GLN . 66.4 mtt -63.84 -47.66 79.88 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.467 178.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -60.7 -44.53 96.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.753 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 62.3 tp -56.9 -47.86 79.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.014 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 47.5 t -67.5 -38.1 83.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.841 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . 0.414 ' HA ' ' OE1' ' A' 1022 ' ' GLN . 6.8 tp60 -66.13 -49.42 67.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.97 -177.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 72.5 m -62.18 -38.12 87.88 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.792 178.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.59 86.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 178.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -64.82 -40.48 95.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 110.645 178.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -64.81 -47.18 78.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.176 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . 0.536 ' O ' ' HG ' ' A' 1031 ' ' LEU . 57.2 tp -61.57 -44.92 96.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.846 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.0 -39.51 94.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.287 -0.482 . . . . 0.0 112.539 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.7 m -77.27 -32.5 55.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.922 0.391 . . . . 0.0 110.653 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.54 -44.52 96.9 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.255 0.55 . . . . 0.0 110.066 176.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . 0.537 HD22 ' HA ' ' A' ' 994' ' ' LEU . 84.4 mt -65.51 -35.28 80.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.533 177.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.44 -48.45 71.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.456 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -81.99 -34.71 29.52 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.562 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 52.2 tp -63.06 -42.1 99.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.008 0.432 . . . . 0.0 110.364 177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . 0.513 ' HA ' HD11 ' A' ' 994' ' ' LEU . 44.0 ttm180 -58.96 -50.98 72.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.843 178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 18.2 m -60.82 -34.38 74.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.103 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -73.0 -53.89 10.0 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.177 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.06 82.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.872 -176.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -62.48 -49.82 73.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.916 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . 0.463 ' HA ' ' HG2' ' A' 1043 ' ' GLU . 56.9 mtmt -77.31 -26.95 52.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.311 -177.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . 0.518 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -68.77 -25.99 64.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.025 0.44 . . . . 0.0 110.974 178.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -79.27 -22.89 44.06 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.753 -178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . 0.463 ' HG2' ' HA ' ' A' 1040 ' ' LYS . 8.9 pt-20 -105.28 19.81 19.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.957 -178.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.206 0 CA-C-O 118.834 -0.603 . . . . 0.0 110.716 179.175 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 111.866 -0.494 . . . . 0.0 111.866 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 7.4 tt -126.04 105.31 14.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.845 0.355 . . . . 0.0 111.501 -178.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 28.4 t70 59.62 103.3 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.57 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.758 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . 0.431 ' HB3' ' NH2' ' A' ' 916' ' ' ARG . 12.9 Cg_exo -70.09 88.77 0.57 Allowed 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 122.692 2.261 . . . . 0.0 111.469 174.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . 0.703 ' HD2' HG22 ' A' ' 912' ' ' THR . 46.2 t80 -94.3 -59.93 1.84 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.266 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . 0.703 HG22 ' HD2' ' A' ' 911' ' ' PHE . 1.6 t -150.03 170.0 19.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.808 0.337 . . . . 0.0 110.199 176.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.612 HD13 ' HA ' ' A' 1041 ' ' ALA . 84.0 mt -62.58 -44.22 96.85 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.356 -174.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . 0.418 HG11 ' HG2' ' A' ' 983' ' ' GLN . 27.8 m -74.44 -27.23 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.941 0.401 . . . . 0.0 111.142 -178.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 10.1 tm0? -66.63 -39.17 88.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.084 178.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . 0.431 ' NH2' ' HB3' ' A' ' 910' ' ' PRO . 77.2 mtt85 -56.74 -46.17 81.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.735 173.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . 0.523 ' HB3' HD22 ' A' ' 986' ' ' LEU . 86.1 mt -61.11 -50.11 74.57 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.299 179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -48.48 -52.4 22.55 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.174 0.512 . . . . 0.0 111.7 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -77.26 -39.35 48.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.584 -173.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -68.4 -40.26 81.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.583 0.23 . . . . 0.0 111.256 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -66.56 -40.2 88.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.489 -178.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -65.93 -40.57 91.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.615 0.245 . . . . 0.0 111.431 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -76.78 -33.18 58.05 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.591 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.49 -45.61 82.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.791 0.329 . . . . 0.0 110.189 175.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.53 -41.84 86.41 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.448 176.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 930' ' ' GLN . . . -64.8 -56.0 16.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.188 178.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 72.2 m -58.5 -36.98 74.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.508 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . 0.548 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.86 -47.36 85.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.813 0.34 . . . . 0.0 110.294 176.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 27.1 m -62.69 -35.85 81.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.406 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 926' ' ' ALA . 54.7 mt-30 -63.87 -43.8 95.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.691 176.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 5.0 m -65.88 -41.53 91.46 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.969 0.414 . . . . 0.0 110.255 178.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.485 HG23 ' SG ' ' A' ' 956' ' ' CYS . 62.6 mt -59.24 -41.79 85.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.142 176.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -68.99 -5.42 21.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.83 -178.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -107.96 -39.71 5.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.165 0.507 . . . . 0.0 109.807 173.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . . . . . . . . . . . -60.28 -54.17 48.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.367 -0.833 . . . . 0.0 112.02 -177.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 932' ' ' ILE . 4.0 pt20 -92.72 12.07 24.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.959 0.409 . . . . 0.0 111.137 -176.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -107.13 -27.19 10.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.967 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' A' 1016 ' ' SER . . . -112.39 18.17 18.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.558 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -78.02 100.58 6.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.411 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 91.0 p 66.2 -33.49 0.19 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.376 1.47 . . . . 0.0 112.85 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -134.42 149.96 72.54 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 177.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.13 26.98 0.41 Allowed 'Trans proline' 0 CA--C 1.534 0.485 0 C-N-CA 122.936 2.424 . . . . 0.0 113.358 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -137.28 -82.57 0.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -163.26 121.56 1.99 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.189 179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 70.5 m -155.6 94.97 1.63 Allowed 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.301 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -95.5 8.31 43.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.486 -176.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . -59.07 -74.21 0.38 Allowed Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.774 -0.727 . . . . 0.0 111.762 175.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -82.38 56.77 5.89 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.615 2.21 . . . . 0.0 111.104 173.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . 0.469 ' HB2' ' HB ' ' A' ' 953' ' ' VAL . 29.8 pt20 -67.21 123.77 87.25 Favored Pre-proline 0 C--O 1.233 0.229 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.225 -176.046 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 949' ' ' GLN . 80.8 Cg_endo -93.78 -160.88 0.08 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.178 2.585 . . . . 0.0 111.623 178.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.6 ' O ' ' HB1' ' A' 1003 ' ' ALA . 4.4 mm? -75.14 68.46 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.251 0.548 . . . . 0.0 109.977 176.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . 0.482 HD21 ' HA ' ' A' 1004 ' ' ALA . 18.5 mt -152.6 -63.07 0.16 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.232 175.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . 0.474 HG12 ' NZ ' ' A' ' 957' ' ' LYS . 47.7 t -63.06 -34.56 67.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.638 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -64.73 -59.28 4.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.826 178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 959' ' ' VAL . 13.9 m -63.74 -28.32 69.8 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.794 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . 0.485 ' SG ' HG23 ' A' ' 932' ' ' ILE . 10.6 t -54.51 -44.51 72.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 175.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.486 ' O ' ' HG2' ' A' ' 961' ' ' GLU . 63.5 mttp -59.4 -47.41 85.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.85 99.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.976 0.417 . . . . 0.0 110.94 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.488 ' O ' HG13 ' A' ' 963' ' ' ILE . 91.9 t -68.14 -47.44 78.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.283 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -64.48 -21.63 66.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.271 0.471 . . . . 0.0 112.271 -174.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.486 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 53.2 mm-40 -86.86 -15.76 38.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.925 0.393 . . . . 0.0 110.909 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . 0.63 ' HG3' ' HG2' ' A' ' 996' ' ' PRO . 85.1 mm-40 -94.84 -23.34 17.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.665 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.5 ' N ' ' HD2' ' A' ' 964' ' ' PRO . 78.1 mt -55.58 -52.38 72.42 Favored Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.405 179.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 13.2 Cg_endo -56.86 -30.66 86.28 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.234 1.956 . . . . 0.0 112.492 179.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 79.8 mt -67.22 -39.72 86.3 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.647 179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.661 ' O ' HG23 ' A' ' 970' ' ' VAL . 97.1 mt -57.96 -57.58 12.19 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.163 0.506 . . . . 0.0 109.879 175.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.0 -37.6 78.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.167 -176.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -62.06 -43.79 98.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -61.61 -44.85 97.41 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.906 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 966' ' ' LEU . 24.5 t -56.93 -49.06 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 120.967 0.413 . . . . 0.0 110.249 177.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -60.13 -41.93 93.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.851 178.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.38 -43.72 98.36 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.351 178.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 23.0 t -72.73 -17.03 61.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 0.0 111.188 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -90.33 -37.67 13.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.69 0.281 . . . . 0.0 110.809 176.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -70.53 -36.88 73.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.176 0.512 . . . . 0.0 110.22 176.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -123.89 87.93 52.64 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.783 175.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.99 -25.03 66.76 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.846 2.364 . . . . 0.0 112.341 -178.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -127.89 80.71 1.98 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.335 0.588 . . . . 0.0 109.447 179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 39.2 t -152.29 119.45 3.15 Favored Pre-proline 0 C--N 1.317 -0.827 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.997 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.54 -28.94 83.8 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.623 2.215 . . . . 0.0 111.535 178.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 27.9 m -64.51 -47.58 78.36 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.09 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.86 -40.5 91.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.349 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . 0.434 ' O ' HG13 ' A' ' 987' ' ' ILE . 54.2 mt-30 -57.62 -61.94 2.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.032 177.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.64 -33.0 72.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.473 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -61.02 -49.14 78.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 110.622 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 917' ' ' LEU . 1.1 tt -66.0 -45.17 82.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.802 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 983' ' ' GLN . 87.5 mt -58.07 -51.18 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.944 179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.49 93.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.026 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.91 92.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.998 179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.684 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.1 m -60.44 -48.29 82.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.38 178.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . 0.687 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.2 mt-30 -66.04 -37.09 84.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 20.6 t -66.14 -27.72 68.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.464 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.548 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 83.4 t80 -83.29 -31.22 27.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.638 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 991' ' ' GLN . 94.4 mt -55.25 -44.9 75.98 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.6 -178.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.843 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 7.2 tp60 -60.19 -62.43 5.94 Favored Pre-proline 0 CA--C 1.542 0.655 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.827 -176.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.843 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 23.2 Cg_exo -65.04 -40.99 18.22 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.003 1.802 . . . . 0.0 112.135 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.521 ' O ' HG23 ' A' 1001 ' ' VAL . . . -60.44 -46.64 93.97 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.982 -0.628 . . . . 0.0 112.068 -179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.91 -35.73 90.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.109 -0.567 . . . . 0.0 112.446 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -69.8 -33.29 72.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.637 0.256 . . . . 0.0 110.792 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 9.8 tmm? -77.32 -25.48 51.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 -177.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 997' ' ' GLY . 88.1 t -59.23 -45.46 92.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 172.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -70.02 -42.77 72.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.482 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . 0.6 ' HB1' ' O ' ' A' ' 951' ' ' LEU . . . -58.62 -40.84 84.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.219 178.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.482 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -65.56 -46.38 79.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.071 179.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . 0.512 ' HE2' HG12 ' A' 1001 ' ' VAL . 67.3 mttm -56.9 -44.78 82.71 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.96 0.409 . . . . 0.0 111.373 -179.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -69.63 -20.97 63.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.752 -176.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . 0.421 ' O ' HG13 ' A' 1011 ' ' ILE . 19.4 m -92.02 -16.04 27.04 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.453 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' 1004 ' ' ALA . 97.0 t -55.74 -53.17 65.73 Favored Pre-proline 0 CA--C 1.541 0.615 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . 0.441 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 61.2 Cg_endo -73.59 -14.03 24.77 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.948 1.765 . . . . 0.0 113.564 -177.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 20.3 p -90.39 -21.11 22.12 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.26 -178.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.43 HD12 HD12 ' A' 1020 ' ' LEU . 79.8 mt -82.28 127.36 39.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 175.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -79.34 -28.04 42.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 -176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -70.37 107.43 3.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.146 176.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -60.88 -45.75 93.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.458 -174.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.25 -40.85 82.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.768 0.318 . . . . 0.0 110.968 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . 0.469 ' HB3' ' HB2' ' A' ' 938' ' ' ALA . 29.2 m -72.79 -39.36 66.76 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.75 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -63.09 -48.23 79.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.051 0.453 . . . . 0.0 110.589 178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 26.5 mmt -62.18 -37.82 86.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.378 178.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -61.62 -41.61 97.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.62 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' 1020 ' ' LEU . 10.5 mt -59.68 -54.28 48.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.401 177.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 22.1 t -62.22 -39.66 93.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.754 0.312 . . . . 0.0 110.545 -177.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . 0.431 ' OE1' ' HE3' ' A' 1025 ' ' LYS . 7.7 tp60 -57.85 -48.67 79.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.604 178.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 62.4 m -72.87 -45.12 60.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.162 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -59.52 -43.04 93.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.972 -177.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . 0.431 ' HE3' ' OE1' ' A' 1022 ' ' GLN . 18.8 pttp -67.09 -35.09 79.04 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.538 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -71.36 -40.75 70.44 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 116.354 -0.385 . . . . 0.0 109.989 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . 0.414 ' O ' ' HG ' ' A' 1031 ' ' LEU . 48.5 tp -59.64 -38.06 80.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.868 176.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.25 -47.75 89.29 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.566 176.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 4.3 m -71.26 -34.69 70.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.995 0.426 . . . . 0.0 110.472 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -59.66 -47.98 83.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.165 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . 0.485 HD22 HD23 ' A' ' 994' ' ' LEU . 96.7 mt -65.7 -34.57 78.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.717 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -56.83 -56.9 15.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.209 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.59 -29.86 59.42 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.37 -178.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.66 -46.97 87.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.917 0.389 . . . . 0.0 109.994 175.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -61.88 -43.76 98.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.194 177.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . 0.558 HG22 ' HE2' ' A' 1040 ' ' LYS . 27.6 m -63.78 -43.64 95.76 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.82 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -63.5 -48.37 77.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.051 179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . 0.428 ' HA ' HD21 ' A' ' 917' ' ' LEU . . . -63.19 -33.38 75.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.737 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . 0.9 HE21 ' HA ' ' A' 1039 ' ' GLN . 0.0 OUTLIER -67.97 -41.32 82.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.476 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . 0.558 ' HE2' HG22 ' A' 1036 ' ' THR . 68.0 mttm -65.89 -47.05 76.12 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.947 0.403 . . . . 0.0 110.858 178.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . 0.612 ' HA ' HD13 ' A' ' 913' ' ' LEU . . . -68.13 -21.29 64.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.703 -176.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -80.53 -32.61 36.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.02 -176.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . 0.642 ' HG2' ' O ' ' A' 1039 ' ' GLN . 10.9 mm-40 -91.31 -10.18 42.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.374 -174.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.963 -178.714 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.705 0 N-CA-C 111.727 -0.549 . . . . 0.0 111.727 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . 0.439 ' O ' HG13 ' A' ' 908' ' ' ILE . 9.9 tp -98.55 23.78 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 122.473 1.13 . . . . 0.0 109.915 178.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . 0.418 ' HA ' ' HD2' ' A' ' 910' ' ' PRO . 8.3 p-10 -87.05 123.02 70.86 Favored Pre-proline 0 C--N 1.314 -0.944 0 CA-C-N 114.472 -1.24 . . . . 0.0 109.726 177.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 909' ' ' ASP . 9.7 Cg_endo -52.04 102.8 0.07 OUTLIER 'Trans proline' 0 CA--C 1.518 -0.322 0 C-N-CA 124.419 3.413 . . . . 0.0 113.68 -174.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . 0.512 ' HB2' ' HG3' ' A' ' 915' ' ' GLN . 10.9 m-85 -55.68 -61.12 2.57 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.803 -1.184 . . . . 0.0 107.803 167.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . 0.612 ' OG1' ' HG2' ' A' ' 915' ' ' GLN . 45.6 p -121.77 179.13 4.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.57 -1.195 . . . . 0.0 108.248 169.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 5.1 mp -87.35 -22.83 24.84 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.164 177.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . 0.563 HG11 ' HG2' ' A' ' 983' ' ' GLN . 27.1 m -77.4 -21.06 14.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.979 177.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . 0.612 ' HG2' ' OG1' ' A' ' 912' ' ' THR . 13.1 mm100 -57.59 -37.4 73.14 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.362 0.601 . . . . 0.0 109.85 171.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 -68.56 -43.19 77.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.073 -0.967 . . . . 0.0 109.773 175.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . 0.533 HD12 HG12 ' A' ' 914' ' ' VAL . 87.1 mt -60.02 -42.13 93.7 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 115.395 -0.821 . . . . 0.0 111.324 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.477 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 94.4 mt-10 -54.49 -45.6 73.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.057 0.456 . . . . 0.0 110.93 178.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -69.47 -50.53 44.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -62.86 -40.19 96.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.6 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -65.38 -44.36 87.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.514 0.197 . . . . 0.0 111.409 -178.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -66.53 -40.27 89.05 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.971 -0.291 . . . . 0.0 111.163 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -75.43 -30.18 59.95 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.596 -0.442 . . . . 0.0 110.462 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.31 -47.07 68.56 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 175.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -59.14 -41.01 87.27 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.392 176.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.34 -56.38 16.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.946 177.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 46.6 m -59.13 -37.86 78.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.9 -178.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . 0.539 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -60.25 -51.19 70.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.46 176.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 27.1 m -58.1 -43.79 87.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.628 179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . 0.461 ' OE1' ' HA ' ' A' ' 930' ' ' GLN . 12.4 mm-40 -64.03 -41.28 97.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.928 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 31.3 m -67.25 -37.15 83.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.775 179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.503 ' O ' ' HG3' ' A' ' 936' ' ' GLN . 71.9 mt -61.43 -50.5 80.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.796 0.331 . . . . 0.0 110.27 176.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.73 87.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.878 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -67.66 -41.91 83.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.721 178.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.715 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -61.16 -43.62 98.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.132 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 92.3 mt-30 -61.08 -41.17 96.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.048 0.451 . . . . 0.0 110.35 177.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -70.15 -42.17 72.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.171 -179.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -79.19 -16.29 56.79 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.973 -175.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -58.72 -61.44 2.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.684 -0.235 . . . . 0.0 110.377 177.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 17.6 m 70.34 -62.48 0.43 Allowed 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.931 0.77 . . . . 0.0 112.018 175.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -147.87 155.48 44.33 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.667 -0.242 . . . . 0.0 110.412 -176.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . 0.626 ' HA ' ' HG3' ' A' ' 950' ' ' PRO . 50.3 Cg_exo -54.89 115.29 2.32 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.771 2.314 . . . . 0.0 111.221 173.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -85.57 86.67 7.36 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -170.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . 61.27 81.62 0.19 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.536 168.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 5.7 t 56.91 36.96 28.47 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.831 170.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -102.41 12.96 35.78 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.095 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 90.71 -172.83 37.75 Favored Glycine 0 N--CA 1.447 -0.599 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.556 -177.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.59 -2.54 12.76 Favored 'Trans proline' 0 C--O 1.233 0.261 0 C-N-CA 122.683 2.255 . . . . 0.0 111.628 176.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . 0.417 ' HG3' ' HB ' ' A' ' 953' ' ' VAL . 9.3 tt0 -135.28 105.96 10.21 Favored Pre-proline 0 C--N 1.314 -0.937 0 CA-C-N 114.554 -1.203 . . . . 0.0 108.745 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . 0.626 ' HG3' ' HA ' ' A' ' 942' ' ' PRO . 51.1 Cg_exo -54.75 -77.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.014 2.476 . . . . 0.0 113.747 -172.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.527 ' HA ' ' OE1' ' A' ' 954' ' ' GLN . 0.2 OUTLIER -161.77 -50.23 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.402 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . 0.715 ' HB3' ' HB1' ' A' ' 935' ' ' ALA . 89.2 mt -48.07 -55.4 10.28 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.486 -178.548 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . 0.464 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 39.5 t -55.89 -38.9 54.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.773 -175.09 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . 0.527 ' OE1' ' HA ' ' A' ' 951' ' ' LEU . 46.7 mt-30 -55.68 -49.93 71.63 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 121.314 0.578 . . . . 0.0 110.382 -179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . 0.427 ' O ' HG23 ' A' ' 959' ' ' VAL . 16.7 m -67.9 -41.58 82.47 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.741 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 70.8 m -58.38 -36.47 73.57 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.562 -179.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 9.0 mtpm? -65.76 -39.43 91.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.773 0.32 . . . . 0.0 110.905 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -72.48 -42.73 64.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.19 0.519 . . . . 0.0 110.625 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 963' ' ' ILE . 86.4 t -59.21 -42.17 86.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.597 177.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.9 -22.28 64.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.9 -178.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -75.87 -29.57 58.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.931 0.396 . . . . 0.0 110.797 178.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . 0.441 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 14.5 mm100 -98.7 -18.74 17.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -174.039 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 959' ' ' VAL . 73.6 mt -55.45 -55.04 44.39 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 111.895 0.332 . . . . 0.0 111.895 179.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.47 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 19.8 Cg_endo -60.51 -29.84 89.47 Favored 'Trans proline' 0 C--N 1.355 0.885 0 C-N-CA 121.882 1.721 . . . . 0.0 112.073 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 84.0 mt -68.85 -37.8 79.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.62 ' O ' HG23 ' A' ' 970' ' ' VAL . 85.4 mt -59.65 -57.77 11.47 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.138 0.494 . . . . 0.0 109.868 174.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . 0.418 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 33.4 t -63.13 -35.58 72.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.969 -176.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.36 -42.8 96.51 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 174.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -63.19 -42.32 99.42 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.93 -0.652 . . . . 0.0 111.759 175.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 966' ' ' LEU . 16.6 t -60.66 -44.08 96.26 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.163 0 CA-C-O 120.981 0.42 . . . . 0.0 109.945 177.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . 0.446 HH11 ' HD3' ' A' ' 971' ' ' ARG . 42.6 mtm-85 -71.13 -8.48 53.73 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.999 178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -89.44 -47.91 3.9 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 175.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 27.9 t -63.95 -37.58 87.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.985 0.421 . . . . 0.0 110.371 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -87.8 10.15 19.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.068 0.461 . . . . 0.0 111.226 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -111.58 -44.03 3.57 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 172.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -132.53 85.42 48.1 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.503 -0.771 . . . . 0.0 109.998 176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -70.08 -18.31 35.57 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 123.164 2.576 . . . . 0.0 112.876 -176.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -90.34 -19.14 24.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.986 0.422 . . . . 0.0 110.504 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 34.0 t -72.07 123.78 89.94 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.55 -19.07 37.58 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.635 2.224 . . . . 0.0 111.417 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 33.4 t -65.38 -33.59 76.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.828 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -67.23 -32.4 73.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.596 178.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . 0.563 ' HG2' HG11 ' A' ' 914' ' ' VAL . 79.9 mt-30 -60.97 -63.66 1.22 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.598 178.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . 0.402 ' HA ' HD13 ' A' ' 984' ' ' LEU . 3.9 mm? -61.44 -29.35 69.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.118 -177.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -57.99 -49.67 76.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.777 0.322 . . . . 0.0 110.192 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 16.5 mt -68.86 -50.05 53.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.102 177.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . 0.485 HG21 ' HG2' ' A' 1042 ' ' GLN . 81.2 mt -54.72 -53.02 36.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.606 -176.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -66.5 -40.58 89.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.233 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -64.18 -39.52 94.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.736 0.303 . . . . 0.0 110.497 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.701 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 41.5 m -64.2 -49.4 72.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.546 178.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . 0.62 ' HA ' HD12 ' A' ' 994' ' ' LEU . 97.4 mt-30 -60.26 -43.76 95.88 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.195 0.521 . . . . 0.0 110.828 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 17.6 t -73.01 -10.97 60.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.872 -179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.539 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 85.8 t80 -94.36 -31.24 14.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.913 0.387 . . . . 0.0 110.181 176.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 990' ' ' SER . 78.7 mt -56.76 -43.31 80.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.442 -179.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.518 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 29.4 tt0 -63.05 -62.43 5.65 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.78 -177.279 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.518 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 35.5 Cg_endo -65.39 -33.98 45.47 Favored 'Trans proline' 0 C--N 1.356 0.953 0 C-N-CA 121.751 1.634 . . . . 0.0 112.148 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.474 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.52 -47.27 90.6 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.91 -0.662 . . . . 0.0 111.718 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -61.7 -31.97 79.9 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.166 -0.54 . . . . 0.0 111.958 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.22 -33.0 74.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.635 0.255 . . . . 0.0 110.887 176.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 47.0 ttp -78.71 -33.25 46.94 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.09 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 997' ' ' GLY . 58.0 t -62.76 -46.74 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 174.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -61.85 -48.18 81.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.429 177.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -57.96 -41.69 83.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.04 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.609 ' O ' HG23 ' A' 1008 ' ' VAL . . . -62.96 -52.25 63.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.756 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.72 -27.52 69.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.41 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -85.96 -19.87 29.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.537 -178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . 0.645 ' O ' HG13 ' A' 1011 ' ' ILE . 50.4 m -86.94 -25.76 24.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.661 0.267 . . . . 0.0 110.533 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.675 HG13 ' HB1' ' A' 1017 ' ' ALA . 85.0 t -52.45 -51.81 69.3 Favored Pre-proline 0 CA--C 1.542 0.649 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' 1008 ' ' VAL . 41.7 Cg_endo -67.01 -22.24 48.29 Favored 'Trans proline' 0 C--N 1.355 0.887 0 C-N-CA 121.963 1.775 . . . . 0.0 112.722 -175.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 74.9 p -95.17 3.0 55.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.25 0.548 . . . . 0.0 110.683 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.645 HG13 ' O ' ' A' 1007 ' ' SER . 77.0 mt -93.93 121.28 44.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 170.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -95.82 7.45 46.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.216 0.532 . . . . 0.0 110.706 -175.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . 0.485 ' H ' HG22 ' A' 1011 ' ' ILE . 24.0 t70 -105.45 117.98 35.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.349 170.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' 1018 ' ' MET . 25.2 tp60 -57.85 -46.63 84.5 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.752 -174.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -63.67 -44.48 93.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.86 -175.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 19.6 m -65.17 -39.54 93.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.863 0.363 . . . . 0.0 110.766 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.675 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -65.85 -40.44 91.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.251 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' 1014 ' ' GLN . 83.1 mtp -67.66 -28.88 68.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -64.68 -42.97 94.98 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 935' ' ' ALA . 13.8 mt -64.02 -47.29 80.84 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 176.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 34.6 t -57.22 -43.47 82.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.764 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.5 -51.34 69.84 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.623 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 56.1 m -67.66 -46.22 73.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.281 -177.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -60.91 -45.08 96.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.092 -176.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 20.7 pttp -65.62 -35.29 80.39 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.867 0.365 . . . . 0.0 110.607 -177.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -76.01 -41.38 51.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.524 -179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' 1031 ' ' LEU . 65.1 tp -60.71 -45.07 95.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.231 175.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.54 -41.82 97.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.11 -0.567 . . . . 0.0 112.376 178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 8.8 m -72.23 -36.5 69.13 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.996 0.427 . . . . 0.0 110.321 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -58.76 -44.07 90.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.928 174.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' 1027 ' ' LEU . 99.1 mt -65.61 -37.95 88.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.578 176.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -55.66 -56.2 23.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.636 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.98 -31.05 64.28 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.13 -178.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 65.7 tp -63.93 -49.54 72.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.983 0.42 . . . . 0.0 110.306 176.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -56.19 -48.42 76.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.107 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 19.1 m -63.04 -42.88 99.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.29 -177.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -69.13 -41.28 77.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.616 -0.266 . . . . 0.0 111.058 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.73 95.94 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.795 179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . 0.517 ' O ' ' HG2' ' A' 1043 ' ' GLU . 50.1 tt0 -59.89 -46.34 89.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.53 177.166 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -64.25 -41.85 96.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.744 -177.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -68.14 -28.5 67.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.217 0.532 . . . . 0.0 110.53 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . 0.485 ' HG2' HG21 ' A' ' 987' ' ' ILE . 0.0 OUTLIER -69.48 -35.12 75.28 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.257 179.743 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' 1039 ' ' GLN . 8.9 pt-20 -98.03 12.62 33.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.399 -179.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.857 -179.655 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.865 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 31.8 pt -103.9 -178.75 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.574 0.226 . . . . 0.0 111.036 -176.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . 0.471 ' HA ' ' HD3' ' A' ' 910' ' ' PRO . 1.5 m-20 -56.27 130.98 75.46 Favored Pre-proline 0 N--CA 1.465 0.275 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.975 176.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 909' ' ' ASP . 6.4 Cg_exo -73.58 95.31 0.87 Allowed 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 123.07 2.513 . . . . 0.0 111.575 176.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . 0.568 ' HA ' ' HG3' ' A' ' 915' ' ' GLN . 33.5 p90 -106.83 147.86 29.22 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.902 174.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . 0.409 ' H ' ' HB2' ' A' ' 915' ' ' GLN . 14.1 t 178.66 -167.43 0.07 Allowed 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.702 -175.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.477 HD22 ' HB3' ' A' 1040 ' ' LYS . 95.8 mt -58.13 -46.17 86.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.567 -175.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . 0.652 HG11 ' HG3' ' A' ' 983' ' ' GLN . 15.9 m -69.77 -26.63 30.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.837 0.351 . . . . 0.0 110.996 -176.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . 0.568 ' HG3' ' HA ' ' A' ' 911' ' ' PHE . 86.6 mm-40 -72.57 -36.4 68.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.092 178.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -69.66 -34.96 74.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.565 174.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.6 -44.03 97.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.264 176.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -54.9 -52.69 62.09 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.042 0.448 . . . . 0.0 110.721 174.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -60.01 -32.88 71.29 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.806 -177.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -75.87 -43.27 46.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.748 178.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -62.81 -41.73 99.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.919 0.39 . . . . 0.0 111.183 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -62.98 -45.8 90.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.046 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -73.65 -31.04 63.29 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.483 -177.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -65.69 -46.65 78.24 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 176.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.35 -43.53 88.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.451 176.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . 0.416 ' O ' ' HG3' ' A' ' 930' ' ' GLN . . . -62.93 -52.8 61.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.465 178.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 34.7 m -64.34 -32.74 74.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.061 -177.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . 0.61 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -64.86 -41.12 95.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.251 175.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 32.6 m -59.94 -42.87 94.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.248 177.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 926' ' ' ALA . 79.6 mt-30 -58.97 -45.8 89.66 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.328 176.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 19.9 m -68.86 -39.49 79.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.288 -176.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 928' ' ' ALA . 63.6 mt -64.47 -43.7 96.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 177.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -59.79 -35.7 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.117 0.484 . . . . 0.0 110.569 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -73.65 -43.36 59.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.588 176.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -58.74 -45.79 88.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.313 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -63.61 -27.61 69.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.237 -179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -91.4 -45.11 8.75 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.617 -174.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . 0.48 ' HB2' ' HB3' ' A' 1016 ' ' SER . . . -79.66 -42.33 25.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.551 -176.132 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -101.42 89.44 3.75 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.17 0.51 . . . . 0.0 110.987 -177.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 20.0 m -95.12 -40.38 9.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.23 175.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -158.74 134.96 6.31 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.265 -0.88 . . . . 0.0 109.61 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.38 8.05 2.73 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.647 2.232 . . . . 0.0 112.953 -177.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? 61.6 29.58 18.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.512 -179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -116.12 110.65 19.15 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.081 -176.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 38.0 m -81.48 -32.56 32.41 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.87 176.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -96.22 108.32 20.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.035 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 77.26 76.34 0.87 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.076 -177.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.57 99.34 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.942 2.428 . . . . 0.0 112.169 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -127.09 102.12 24.77 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.892 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . 0.766 ' HB2' ' HB ' ' A' ' 953' ' ' VAL . 7.7 Cg_exo -74.01 -19.25 20.64 Favored 'Trans proline' 0 CA--C 1.531 0.37 0 C-N-CA 122.935 2.423 . . . . 0.0 113.309 -177.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 951' ' ' LEU . 4.3 mm? 61.88 -81.82 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.008 0.523 . . . . 0.0 111.97 -178.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . 0.472 HD21 ' CA ' ' A' 1004 ' ' ALA . 25.7 mt -56.02 -43.77 78.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 0.0 111.358 -178.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . 0.766 ' HB ' ' HB2' ' A' ' 950' ' ' PRO . 90.4 t -63.46 -29.04 46.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.829 -178.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -72.02 -51.63 20.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.465 0.65 . . . . 0.0 109.87 176.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . 0.435 ' O ' HG23 ' A' ' 959' ' ' VAL . 15.1 m -62.2 -44.01 97.55 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.613 -177.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . 0.695 ' SG ' ' HA ' ' A' ' 953' ' ' VAL . 20.8 p -63.39 -26.34 68.7 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -176.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 953' ' ' VAL . 39.2 mmtm -63.46 -49.49 73.44 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 120.797 0.332 . . . . 0.0 110.409 175.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -70.01 -37.94 75.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.919 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 963' ' ' ILE . 87.1 t -62.95 -40.11 87.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.649 178.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -64.73 -14.18 57.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.623 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 36.1 mt-10 -88.99 -34.04 16.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.1 0.476 . . . . 0.0 110.198 176.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . 0.424 ' CB ' ' HD1' ' A' ' 993' ' ' PHE . 86.8 mm-40 -85.65 -27.09 25.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.129 -174.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.71 ' HB ' ' HD3' ' A' ' 964' ' ' PRO . 80.6 mt -55.53 -53.98 56.34 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 177.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.71 ' HD3' ' HB ' ' A' ' 963' ' ' ILE . 31.7 Cg_exo -59.94 -31.22 93.35 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.966 1.777 . . . . 0.0 112.167 177.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 73.8 mt -68.57 -41.78 79.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.737 178.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 970' ' ' VAL . 46.1 mt -54.62 -59.95 4.01 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 121.075 0.464 . . . . 0.0 110.248 173.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 49.6 t -62.01 -32.55 54.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.271 -176.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -61.59 -43.79 98.21 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 174.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.82 -43.15 92.3 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.922 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 966' ' ' LEU . 39.4 t -57.71 -51.13 74.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.093 0 CA-C-O 120.973 0.416 . . . . 0.0 110.164 178.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -66.02 -26.41 67.51 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.67 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -62.92 -41.96 99.77 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.527 174.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 28.7 t -71.97 -21.97 61.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.347 0.594 . . . . 0.0 109.888 176.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 974' ' ' GLN . 16.2 mm-40 -86.15 -2.39 58.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.648 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -116.0 -39.76 3.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.634 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . 0.417 ' HB3' ' HB2' ' A' ' 979' ' ' SER . 45.1 mt-30 -136.44 68.4 60.83 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.426 -179.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.54 -33.06 57.92 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.545 2.164 . . . . 0.0 113.053 -174.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -83.68 -17.8 40.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.89 0.376 . . . . 0.0 110.633 -177.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.432 ' HA ' ' HD2' ' A' ' 980' ' ' PRO . 21.1 m -82.13 124.89 78.28 Favored Pre-proline 0 N--CA 1.443 -0.791 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.797 -177.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 979' ' ' SER . 17.8 Cg_endo -58.51 -20.15 47.98 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.983 2.455 . . . . 0.0 112.327 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 2.1 m -57.9 -43.84 86.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.684 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -63.91 -41.96 97.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.589 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . 0.652 ' HG3' HG11 ' A' ' 914' ' ' VAL . 2.0 mp0 -61.55 -51.31 69.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.666 177.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 94.2 mt -58.17 -40.28 81.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.054 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.18 -50.32 70.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.766 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . . . . . . . . . 8.6 mt -58.51 -53.05 62.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.502 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . 0.611 HD13 ' HA ' ' A' 1042 ' ' GLN . 75.0 mt -56.79 -47.06 83.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.927 -177.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -63.99 -51.58 63.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.129 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -59.85 -42.23 93.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.374 -177.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.591 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 41.3 m -61.48 -49.39 76.96 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.213 -179.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . 0.767 ' HA ' HD12 ' A' ' 994' ' ' LEU . 77.1 mt-30 -67.52 -35.38 79.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.04 0.447 . . . . 0.0 110.685 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 32.5 t -66.25 -36.26 82.54 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.463 178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.61 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 91.7 t80 -71.33 -32.71 68.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.0 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 991' ' ' GLN . 74.7 mt -58.41 -32.75 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.208 179.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.709 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 61.7 tt0 -60.19 -63.4 4.31 Favored Pre-proline 0 CA--C 1.541 0.623 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.917 -176.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.709 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 72.1 Cg_endo -78.21 -28.3 4.84 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.484 1.456 . . . . 0.0 112.207 179.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.46 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.93 -49.88 68.54 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.159 -179.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -63.44 -34.11 89.06 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.165 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 995' ' ' GLN . 67.0 mttm -72.17 -31.81 66.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.443 0.163 . . . . 0.0 110.721 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 52.8 ttp -71.71 -33.92 69.16 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 997' ' ' GLY . 60.9 t -62.75 -45.32 99.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 173.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -60.89 -49.05 79.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.768 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -61.18 -42.25 98.25 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.801 178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.558 ' O ' HG23 ' A' 1008 ' ' VAL . . . -59.16 -53.74 54.88 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.775 179.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.46 -36.54 78.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -74.56 -28.63 61.02 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.552 -177.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . 0.486 ' O ' HG13 ' A' 1011 ' ' ILE . 56.7 p -81.62 -22.01 37.92 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.153 -0.219 . . . . 0.0 111.529 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.731 HG13 ' HB1' ' A' 1017 ' ' ALA . 75.9 t -50.44 -56.6 17.35 Favored Pre-proline 0 CA--C 1.542 0.665 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . 0.519 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 73.2 Cg_endo -75.83 -4.86 15.75 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 122.03 1.82 . . . . 0.0 113.541 -177.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 26.6 p -101.41 -14.41 17.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.885 0.374 . . . . 0.0 111.355 179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' 1007 ' ' SER . 66.9 mt -85.15 131.22 34.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.035 179.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -70.85 -32.65 69.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.905 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 21.3 t70 -79.12 107.55 11.96 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.481 -179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -65.47 -35.68 81.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.455 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -58.42 -47.51 83.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.952 0.406 . . . . 0.0 110.756 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . 0.48 ' HB3' ' HB2' ' A' ' 938' ' ' ALA . 20.3 m -65.4 -35.62 81.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.783 178.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.731 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -62.78 -45.58 92.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.483 177.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . . . . . . . . . 26.4 mmt -66.14 -37.7 86.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.639 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -60.1 -43.61 95.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.314 177.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 64.6 mt -63.83 -44.01 94.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.033 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 29.6 t -59.59 -28.22 66.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.782 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -78.95 -53.11 7.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.552 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 60.2 m -62.27 -47.32 84.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.441 -176.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . 0.405 ' HB1' HG13 ' A' 1001 ' ' VAL . . . -64.7 -27.23 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.201 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -70.83 -43.98 67.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.955 0.407 . . . . 0.0 109.953 178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -64.72 -52.39 57.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.137 177.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . 0.451 ' O ' ' HG ' ' A' 1031 ' ' LEU . 58.9 tp -60.49 -46.48 89.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.132 -178.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -59.27 -44.37 96.55 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.822 -178.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.0 m -75.08 -32.68 61.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.85 0.357 . . . . 0.0 110.557 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.26 -44.96 96.39 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 174.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . 0.555 HD22 HD23 ' A' ' 994' ' ' LEU . 95.9 mt -64.74 -32.84 74.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.808 176.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.34 -54.02 51.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.086 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -78.39 -28.0 46.89 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.871 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 65.4 tp -61.11 -50.16 74.38 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-O 120.891 0.376 . . . . 0.0 110.155 175.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -59.38 -41.18 88.76 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.526 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 24.4 m -68.56 -45.59 71.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.008 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -69.1 -37.25 78.31 Favored 'General case' 0 C--O 1.233 0.184 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.099 -178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' 1042 ' ' GLN . . . -64.38 -35.97 82.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 178.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -74.13 -37.47 64.06 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . 0.477 ' HB3' HD22 ' A' ' 913' ' ' LEU . 46.9 mttm -56.19 -57.74 10.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.858 175.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -65.1 -21.33 66.79 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.272 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . 0.611 ' HA ' HD13 ' A' ' 987' ' ' ILE . 0.7 OUTLIER -75.62 -59.25 2.83 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.114 -177.118 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -108.95 26.35 10.71 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -172.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' 1040 ' ' LYS . . . . . . . . 0 C--O 1.247 0.928 0 CA-C-O 118.472 -0.775 . . . . 0.0 110.228 173.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.869 0 N-CA-C 112.056 -0.418 . . . . 0.0 112.056 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 67.4 mt -95.35 111.01 25.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.75 0.309 . . . . 0.0 110.28 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -81.32 135.8 50.08 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.066 177.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.83 11.22 2.6 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.667 2.245 . . . . 0.0 112.265 177.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . 0.432 ' HD1' ' HB3' ' A' ' 915' ' ' GLN . 90.6 m-85 -124.8 128.27 48.48 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.255 179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . 0.425 ' N ' ' HB2' ' A' ' 915' ' ' GLN . 38.3 p -78.64 -175.23 4.26 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 172.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.17 -43.18 87.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.616 0.246 . . . . 0.0 111.15 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . 0.458 HG12 ' HG2' ' A' ' 983' ' ' GLN . 22.8 m -79.45 -34.42 16.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.334 -179.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . 0.432 ' HB3' ' HD1' ' A' ' 911' ' ' PHE . 79.0 mm-40 -62.61 -43.11 99.64 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 120.8 0.333 . . . . 0.0 111.054 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -67.09 -34.43 77.63 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.167 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . 0.808 ' HB3' HD13 ' A' ' 986' ' ' LEU . 9.6 mt -62.26 -48.75 78.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.804 177.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 914' ' ' VAL . 69.2 mt-10 -52.1 -46.12 65.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.26 0.553 . . . . 0.0 111.199 178.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 -79.98 -36.76 35.55 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.429 -174.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . 0.444 ' HA ' ' HG2' ' A' ' 923' ' ' GLN . . . -69.36 -37.25 77.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.879 0.371 . . . . 0.0 110.914 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . 0.467 ' HB3' HG22 ' A' ' 970' ' ' VAL . . . -66.66 -40.76 88.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.928 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 918' ' ' GLU . 7.5 mtmp? -68.61 -37.67 79.97 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.829 -0.348 . . . . 0.0 111.272 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . 0.444 ' HG2' ' HA ' ' A' ' 920' ' ' ALA . 10.8 pt20 -72.68 -33.67 66.69 Favored 'General case' 0 C--N 1.331 -0.205 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.05 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -66.0 -48.5 71.0 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 175.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -58.62 -43.36 89.62 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.876 176.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -63.05 -52.65 61.98 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.317 179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . 0.538 ' O ' ' HG2' ' A' ' 930' ' ' GLN . 50.9 m -62.4 -37.83 87.29 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.935 -178.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . 0.481 ' O ' HG13 ' A' ' 932' ' ' ILE . . . -61.41 -44.83 96.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.847 0.356 . . . . 0.0 110.452 177.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 86.1 m -55.8 -48.79 74.76 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.517 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 927' ' ' SER . 19.4 pt20 -69.63 -36.89 76.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.655 -176.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 30.4 m -63.54 -40.93 98.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.741 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.56 HG23 ' HB3' ' A' ' 956' ' ' CYS . 67.2 mt -59.08 -45.92 92.19 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.585 -0.279 . . . . 0.0 110.76 178.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -64.88 -41.99 95.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.965 0.412 . . . . 0.0 110.869 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . 0.47 ' HB1' ' HG3' ' A' 1019 ' ' GLN . . . -66.07 -40.39 90.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.221 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.752 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -60.91 -40.65 93.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.363 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . 0.55 ' HG3' ' O ' ' A' ' 932' ' ' ILE . 69.7 mt-30 -64.15 -43.65 94.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.92 0.391 . . . . 0.0 110.504 179.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -64.62 -38.6 91.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.586 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -73.2 -29.43 62.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.258 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -78.57 15.78 0.96 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.685 -178.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 44.1 t -65.17 -43.23 92.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.509 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -144.99 94.43 5.35 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.916 0.389 . . . . 0.0 111.109 -179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -94.78 -176.63 0.44 Allowed 'Trans proline' 0 N--CA 1.45 -1.064 0 C-N-CA 123.577 2.852 . . . . 0.0 111.694 176.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -125.12 20.94 8.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.051 0.453 . . . . 0.0 110.092 177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -64.4 139.79 58.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.833 -178.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 27.6 p -124.23 -32.03 3.25 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.04 -176.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -91.58 -8.51 47.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.589 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . 0.452 ' HA2' ' HD3' ' A' ' 948' ' ' PRO . . . -131.33 123.02 3.62 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.909 179.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . 0.452 ' HD3' ' HA2' ' A' ' 947' ' ' GLY . 5.9 Cg_exo -77.55 -7.63 16.85 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 123.081 2.521 . . . . 0.0 111.911 179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . 0.42 ' HA ' ' HD3' ' A' ' 950' ' ' PRO . 26.6 mm-40 -128.06 127.78 23.81 Favored Pre-proline 0 C--N 1.313 -0.982 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.196 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 949' ' ' GLN . 32.0 Cg_exo -59.39 137.46 78.4 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.735 2.29 . . . . 0.0 111.929 178.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.93 -31.01 72.0 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.564 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . 0.752 ' HB3' ' HB1' ' A' ' 935' ' ' ALA . 91.6 mt -52.25 -64.16 0.91 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.47 179.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . 0.52 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 35.2 m -59.82 -33.98 54.29 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-O 120.966 0.412 . . . . 0.0 111.731 -176.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -65.47 -46.88 78.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.326 178.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . 0.448 ' O ' HG23 ' A' ' 959' ' ' VAL . 31.2 p -65.96 -36.1 82.39 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.758 178.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . 0.56 ' HB3' HG23 ' A' ' 932' ' ' ILE . 72.9 m -59.74 -35.36 74.41 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.76 0.314 . . . . 0.0 111.346 178.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 62.0 mttp -61.55 -46.46 89.84 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.802 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -69.17 -42.45 75.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.881 -178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 963' ' ' ILE . 85.8 t -59.37 -43.36 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 179.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.53 -24.53 65.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.896 -177.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -76.39 -30.28 57.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.791 0.329 . . . . 0.0 110.966 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -94.06 -21.93 18.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.951 -173.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 959' ' ' VAL . 74.4 mt -51.85 -54.23 42.56 Favored Pre-proline 0 N--CA 1.472 0.639 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 18.1 Cg_endo -59.43 -24.86 76.49 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.236 1.957 . . . . 0.0 113.025 -178.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 39.4 mt -71.09 -38.12 72.42 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 120.576 0.227 . . . . 0.0 110.709 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.635 ' O ' HG23 ' A' ' 970' ' ' VAL . 84.4 mt -58.37 -55.88 29.29 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.257 0.551 . . . . 0.0 109.691 175.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . 0.422 ' O ' ' HG3' ' A' ' 971' ' ' ARG . 26.8 t -61.68 -35.61 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.867 -176.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -57.35 -49.31 76.55 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.939 0.4 . . . . 0.0 110.147 173.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -61.93 -41.94 99.7 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.022 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 966' ' ' LEU . 42.1 t -54.65 -55.27 16.27 Favored 'Isoleucine or valine' 0 C--O 1.231 0.126 0 CA-C-O 120.865 0.364 . . . . 0.0 110.687 178.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 971' ' ' ARG . 19.2 mtm180 -61.48 -33.03 73.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.084 -177.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -68.45 -43.57 77.32 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.018 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . 0.599 ' HA ' ' HB1' ' A' ' 982' ' ' ALA . 36.8 t -66.63 -39.12 88.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.571 0.224 . . . . 0.0 111.019 -179.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.617 ' HG3' ' O ' ' A' ' 970' ' ' VAL . 19.0 mt-30 -59.6 -38.7 81.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.943 0.401 . . . . 0.0 110.583 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -76.24 -34.0 59.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.99 -179.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -126.36 95.57 38.26 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.836 -178.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -63.74 -21.75 69.68 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 C-N-CA 123.293 2.662 . . . . 0.0 113.469 -175.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -149.44 83.52 1.42 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.095 0.474 . . . . 0.0 110.196 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . . . . . . . . . 51.9 m -147.38 137.01 11.96 Favored Pre-proline 0 N--CA 1.444 -0.761 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.901 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -52.18 -47.39 27.01 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 123.102 2.535 . . . . 0.0 112.501 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 70.4 m -62.75 -35.1 78.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.715 0.293 . . . . 0.0 111.608 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . 0.599 ' HB1' ' HA ' ' A' ' 973' ' ' SER . . . -71.91 -48.81 42.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.119 0.485 . . . . 0.0 110.587 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . 0.458 ' HG2' HG12 ' A' ' 914' ' ' VAL . 76.9 mt-30 -66.17 -45.41 80.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.394 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 60.4 tp -60.85 -39.54 89.51 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.116 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -61.63 -40.48 95.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.79 178.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . 0.808 HD13 ' HB3' ' A' ' 917' ' ' LEU . 10.2 mt -72.03 -55.71 6.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.576 178.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . . . . . . . . . 82.6 mt -56.92 -50.74 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.489 -174.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.02 91.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.113 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -66.91 -44.01 81.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.659 -177.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.667 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 49.7 m -58.21 -50.55 73.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.113 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . 0.775 ' HA ' HD12 ' A' ' 994' ' ' LEU . 95.4 mt-30 -66.14 -33.58 76.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.029 0.443 . . . . 0.0 110.821 -178.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 64.9 m -70.79 -26.17 63.2 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.023 177.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.554 ' HE2' HD21 ' A' 1031 ' ' LEU . 74.4 t80 -82.15 -33.48 29.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.948 0.404 . . . . 0.0 110.38 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 991' ' ' GLN . 79.2 mt -57.9 -40.11 79.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.921 -178.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.558 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 16.6 tp60 -64.49 -58.54 13.3 Favored Pre-proline 0 CA--C 1.541 0.596 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.989 -174.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.558 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 54.0 Cg_endo -71.82 -31.75 12.46 Favored 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 121.836 1.691 . . . . 0.0 112.159 177.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.467 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.97 -44.45 97.37 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.996 -0.621 . . . . 0.0 111.817 178.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.17 -28.72 71.18 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.056 -0.592 . . . . 0.0 112.09 178.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -66.84 -39.22 87.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.456 0.17 . . . . 0.0 110.728 177.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 48.7 ttp -73.28 -33.49 65.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 120.777 -0.369 . . . . 0.0 110.012 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 997' ' ' GLY . 56.4 t -62.59 -48.86 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.981 174.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -64.02 -42.44 97.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.987 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -63.74 -44.48 93.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.84 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.522 ' O ' HG23 ' A' 1008 ' ' VAL . . . -60.55 -53.38 58.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 99.3 mttt -63.03 -29.69 71.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.968 0.414 . . . . 0.0 111.593 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -81.75 -21.84 37.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.397 -178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . 0.41 ' O ' HG13 ' A' 1011 ' ' ILE . 50.6 m -86.56 -23.27 25.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.986 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' 1004 ' ' ALA . 85.8 t -50.81 -57.63 12.87 Favored Pre-proline 0 CA--C 1.54 0.569 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . 0.504 ' HD3' ' HB ' ' A' 1008 ' ' VAL . 54.8 Cg_endo -69.67 -20.81 34.8 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 121.95 1.767 . . . . 0.0 113.381 -176.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 29.3 p -84.86 -13.61 50.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.802 0.334 . . . . 0.0 111.749 -176.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' 1007 ' ' SER . 90.7 mt -94.22 126.86 46.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.424 -179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -68.75 -41.19 79.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.995 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.25 108.66 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.925 0.393 . . . . 0.0 110.41 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.541 ' O ' ' HG3' ' A' 1018 ' ' MET . 45.8 mt-30 -70.08 -26.18 63.87 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.383 -175.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -62.4 -49.13 76.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.649 0.261 . . . . 0.0 110.64 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 38.2 m -66.13 -35.69 81.16 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.364 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . . . . . . . . . . . -63.46 -48.08 79.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 178.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . 0.541 ' HG3' ' O ' ' A' 1014 ' ' GLN . 83.9 mtp -63.24 -34.88 78.61 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.009 0.433 . . . . 0.0 110.298 177.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . 0.47 ' HG3' ' HB1' ' A' ' 934' ' ' ALA . 50.7 tp60 -61.7 -46.04 91.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.133 178.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.735 ' HA ' ' SG ' ' A' 1023 ' ' CYS . 26.2 mt -69.13 -40.86 78.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.246 177.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 32.3 t -56.71 -43.36 80.49 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 178.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . 0.507 ' O ' ' HG2' ' A' 1025 ' ' LYS . 6.4 tp60 -67.89 -54.57 17.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.744 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . 0.735 ' SG ' ' HA ' ' A' 1020 ' ' LEU . 24.8 p -63.43 -42.09 98.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.608 0.242 . . . . 0.0 111.427 -174.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.54 86.55 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' 1022 ' ' GLN . 14.4 ptmm? -72.57 -29.69 63.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.175 -179.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -69.17 -52.66 25.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.984 175.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 43.3 tp -61.13 -40.54 94.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.666 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.77 -50.55 66.2 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.534 178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 6.4 m -69.81 -33.24 72.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.821 0.343 . . . . 0.0 110.762 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -62.03 -49.2 76.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.288 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . 0.554 HD21 ' HE2' ' A' ' 993' ' ' PHE . 95.3 mt -64.93 -32.17 73.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.737 178.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.2 -55.73 25.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.536 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -81.68 -20.93 38.52 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.323 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.72 -45.3 68.51 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -64.07 -40.89 97.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.301 176.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . 0.562 HG22 ' HE2' ' A' 1040 ' ' LYS . 61.8 m -66.0 -35.84 81.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.802 178.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -64.83 -53.1 52.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.019 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -61.81 -36.12 80.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.171 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -62.97 -52.51 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.693 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . 0.562 ' HE2' HG22 ' A' 1036 ' ' THR . 58.1 mtmt -68.7 -20.84 64.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.76 0.314 . . . . 0.0 111.288 -177.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -83.26 -20.76 33.89 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.88 0.371 . . . . 0.0 110.833 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . 0.417 HE21 ' HB3' ' A' 1042 ' ' GLN . 1.0 OUTLIER -102.29 -40.33 6.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.198 -176.648 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -132.85 69.35 1.48 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.523 0.678 . . . . 0.0 111.352 -173.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.383 -0.818 . . . . 0.0 109.85 173.55 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 111.898 -0.481 . . . . 0.0 111.898 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . 0.509 ' H ' HD13 ' A' ' 908' ' ' ILE . 0.2 OUTLIER -130.58 154.16 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 122.649 -0.324 . . . . 0.0 110.362 178.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -124.04 90.72 50.43 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-O 121.212 0.53 . . . . 0.0 109.747 176.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -89.89 34.71 0.34 Allowed 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 123.339 2.692 . . . . 0.0 112.4 -177.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . 0.444 ' CD2' HG23 ' A' ' 912' ' ' THR . 44.2 t80 -56.5 -57.52 11.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.906 178.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . 0.444 HG23 ' CD2' ' A' ' 911' ' ' PHE . 45.0 p -136.0 171.23 14.78 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 174.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.51 HD12 ' HB3' ' A' 1044 ' ' ALA . 85.8 mt -73.64 -39.83 64.19 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.809 0.338 . . . . 0.0 110.277 176.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . . . . . . . . . 30.9 m -69.72 -25.8 29.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.591 179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -56.22 -43.15 78.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.196 173.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -72.67 -39.88 66.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.79 177.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . 0.478 ' HG ' HD22 ' A' ' 986' ' ' LEU . 62.0 tp -55.51 -46.28 76.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.051 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -53.42 -53.29 53.39 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.18 0.514 . . . . 0.0 111.141 177.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -69.98 -33.07 71.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.068 -175.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -69.37 -38.8 78.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.703 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -68.57 -38.99 81.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.865 0.364 . . . . 0.0 110.643 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -61.5 -50.72 71.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.941 177.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 -66.98 -30.44 70.55 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.723 0.297 . . . . 0.0 110.567 -178.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.0 -49.42 61.68 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.124 176.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . . . . . . . . . . . -57.84 -42.68 84.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.39 177.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -61.79 -55.36 30.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.269 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 47.3 m -63.93 -35.12 79.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.407 -176.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . 0.507 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -61.83 -44.72 96.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.887 0.375 . . . . 0.0 110.213 176.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 28.4 m -61.15 -40.73 94.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.495 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -62.21 -38.6 89.78 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.755 178.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 19.0 m -71.83 -46.02 59.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.683 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.561 HG23 ' HB3' ' A' ' 956' ' ' CYS . 69.1 mt -59.34 -48.15 88.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 120.719 0.295 . . . . 0.0 111.641 -178.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -57.88 -36.08 71.9 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.429 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . . . . . . . . . . . -82.52 -44.44 15.93 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.054 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.708 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -62.31 -41.82 98.86 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -174.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -78.05 8.69 4.45 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -137.01 -37.63 0.65 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -177.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . . . . . . . . . . . -100.97 -16.05 17.3 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -174.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -82.05 68.3 8.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.052 0.453 . . . . 0.0 111.479 -176.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 54.8 m -157.88 142.68 16.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.924 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . . . . . . . . . . . -85.9 111.64 39.41 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 177.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -63.48 156.38 56.91 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 122.988 2.459 . . . . 0.0 112.674 -177.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . . . . . . . . . 96.8 mttt 71.33 -64.69 0.37 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.653 0.781 . . . . 0.0 111.658 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . . . . . . . . . . . -67.76 -19.73 65.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.424 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 8.9 p -159.43 173.32 16.4 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.542 178.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . -110.49 -36.28 5.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.204 0.526 . . . . 0.0 110.062 177.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . 167.4 88.72 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.487 -179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -83.63 1.85 8.67 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.741 2.294 . . . . 0.0 112.678 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 50.89 73.67 0.94 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.964 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -57.64 -49.84 12.25 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.915 2.41 . . . . 0.0 112.476 -175.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . 0.845 HD12 ' HB2' ' A' 1003 ' ' ALA . 0.7 OUTLIER -170.19 -42.98 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.671 -179.502 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . 0.708 ' HB3' ' HB1' ' A' ' 935' ' ' ALA . 12.6 mt -47.77 -57.58 5.41 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.672 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . 0.46 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 43.8 t -53.88 -37.12 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.578 -176.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -70.98 -42.76 69.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.656 -179.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . 0.408 ' O ' HG23 ' A' ' 959' ' ' VAL . 22.7 m -64.89 -40.56 95.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.731 177.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . 0.561 ' HB3' HG23 ' A' ' 932' ' ' ILE . 73.4 m -56.2 -33.26 65.15 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 178.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 953' ' ' VAL . 62.7 mttm -62.51 -50.0 73.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.45 178.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . . . . . . . . . . . -68.37 -41.25 80.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 963' ' ' ILE . 91.6 t -64.15 -42.23 94.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.243 -179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -60.93 -23.31 65.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.853 -177.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 957' ' ' LYS . 15.1 mm-40 -83.87 -20.16 33.59 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.755 0.312 . . . . 0.0 110.798 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . 0.411 ' HB3' ' HD1' ' A' ' 993' ' ' PHE . 14.3 mm100 -95.71 -24.55 16.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.581 -177.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 959' ' ' VAL . 74.0 mt -53.19 -55.76 30.83 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.448 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 18.5 Cg_endo -59.5 -33.76 97.12 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 121.905 1.736 . . . . 0.0 112.007 179.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 89.6 mt -64.8 -37.87 89.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.789 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.643 ' O ' HG23 ' A' ' 970' ' ' VAL . 85.7 mt -56.64 -56.85 16.21 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.999 173.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.22 -36.37 75.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.375 -175.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -58.91 -42.94 90.85 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.878 0.371 . . . . 0.0 110.044 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -66.3 -43.81 92.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.964 176.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 966' ' ' LEU . 39.5 t -56.85 -43.62 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.007 0.432 . . . . 0.0 110.14 177.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -57.03 -41.06 77.91 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.084 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -60.03 -46.55 93.97 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.438 -179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 16.0 t -69.03 -34.89 75.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.754 0.311 . . . . 0.0 110.637 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -63.99 -38.3 90.58 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.813 0.339 . . . . 0.0 110.469 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -72.17 -55.66 6.89 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.782 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -136.19 95.21 13.47 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.151 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -67.16 -21.87 47.89 Favored 'Trans proline' 0 N--CA 1.464 -0.218 0 C-N-CA 122.29 1.993 . . . . 0.0 111.289 175.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -78.84 -14.36 59.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.739 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.412 ' O ' ' HG2' ' A' ' 983' ' ' GLN . 32.8 t -82.92 115.42 58.6 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 -175.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.558 ' O ' ' HG ' ' A' ' 984' ' ' LEU . 18.0 Cg_exo -66.03 -34.74 36.86 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.411 2.074 . . . . 0.0 110.927 175.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 15.8 m -63.25 -41.99 99.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.708 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -65.64 -39.6 91.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.498 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' A' ' 979' ' ' SER . 53.9 mm-40 -66.03 -43.77 86.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.92 178.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 980' ' ' PRO . 93.7 mt -55.95 -38.94 71.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.866 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.72 -47.59 80.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.674 177.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . 0.478 HD22 ' HG ' ' A' ' 917' ' ' LEU . 0.7 OUTLIER -63.84 -52.44 60.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.372 -179.292 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . . . . . . . . . 84.7 mt -58.09 -49.59 80.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.263 -177.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -60.44 -48.71 80.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.159 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.11 83.58 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.291 -179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.524 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 51.9 m -65.89 -45.67 81.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.159 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . 0.483 ' HA ' HD12 ' A' ' 994' ' ' LEU . 95.4 mt-30 -69.26 -37.41 77.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.882 0.373 . . . . 0.0 110.435 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 73.5 m -75.37 -5.87 47.05 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.272 176.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.507 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 78.2 t80 -95.04 -31.6 13.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.072 0.463 . . . . 0.0 109.862 175.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 990' ' ' SER . 61.2 mt -59.34 -40.4 86.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.468 177.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.838 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 52.2 tt0 -54.66 -63.71 2.61 Favored Pre-proline 0 CA--C 1.542 0.667 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.759 -179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.838 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 12.2 Cg_exo -70.7 -33.65 12.69 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 121.897 1.732 . . . . 0.0 111.977 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' 1001 ' ' VAL . . . -62.1 -49.43 75.07 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.194 -0.527 . . . . 0.0 112.463 -178.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -60.22 -34.71 85.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 121.141 -0.552 . . . . 0.0 112.084 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -65.77 -37.6 86.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.817 0.341 . . . . 0.0 110.582 178.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 46.7 ttp -73.8 -33.14 64.09 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.233 -177.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 997' ' ' GLY . 58.1 t -62.56 -45.43 98.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.963 0.411 . . . . 0.0 110.03 175.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.1 88.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.604 178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . 0.845 ' HB2' HD12 ' A' ' 951' ' ' LEU . . . -65.28 -41.73 93.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.822 177.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.633 ' O ' HG23 ' A' 1008 ' ' VAL . . . -60.71 -51.99 67.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.965 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.18 -32.1 66.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.656 -178.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -84.64 -21.87 30.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.675 -177.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . 0.48 ' O ' HG13 ' A' 1011 ' ' ILE . 14.4 t -90.67 -24.54 20.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.653 0.263 . . . . 0.0 110.893 -177.349 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' 1004 ' ' ALA . 84.6 t -55.03 -51.03 82.96 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 179.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' 1008 ' ' VAL . 35.2 Cg_endo -65.36 -20.82 61.61 Favored 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 121.871 1.714 . . . . 0.0 112.954 -176.26 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 72.8 p -84.93 -14.66 46.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.124 0.488 . . . . 0.0 110.964 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' 1007 ' ' SER . 61.8 mt -81.88 116.08 25.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 175.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -86.83 -2.33 58.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.905 0.383 . . . . 0.0 110.974 -177.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -90.14 121.14 31.92 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.538 174.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . 0.48 ' O ' ' HG3' ' A' 1018 ' ' MET . 80.9 mm-40 -63.55 -59.27 4.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.634 -171.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -61.94 -39.07 90.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.736 0.303 . . . . 0.0 111.102 -176.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . . . . . . . . . 19.1 m -62.8 -44.38 96.31 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.891 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.449 ' HB2' ' HB ' ' A' 1011 ' ' ILE . . . -70.35 -41.8 72.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.137 -179.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . 0.48 ' HG3' ' O ' ' A' 1014 ' ' GLN . 92.5 mtp -61.83 -42.47 99.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.283 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -68.14 -38.5 82.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.549 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . 0.554 HD11 HD11 ' A' ' 952' ' ' LEU . 2.1 tm? -61.0 -44.84 96.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.866 179.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . 0.423 ' HB2' HG21 ' A' 1008 ' ' VAL . 47.9 t -68.38 -33.97 75.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.541 177.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -63.25 -48.0 80.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.22 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 72.0 m -60.63 -41.83 95.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.829 178.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . . . . . . . . . . . -61.01 -42.0 97.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 177.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -62.95 -44.88 94.85 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.441 179.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -64.32 -47.09 80.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.64 178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 60.8 tp -63.58 -44.28 94.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.16 -39.63 92.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.165 -0.54 . . . . 0.0 112.439 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 7.8 m -77.42 -36.44 53.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.95 0.405 . . . . 0.0 110.783 178.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -59.86 -45.29 92.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.257 176.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.43 -31.04 68.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.769 177.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -54.54 -57.07 12.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.77 -177.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -82.68 -22.48 34.54 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.046 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.38 -43.58 98.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.297 0.57 . . . . 0.0 109.715 174.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 32.0 ttp-105 -59.4 -40.23 85.96 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.267 -0.878 . . . . 0.0 110.652 177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 29.4 m -72.2 -45.7 59.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.009 177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . . . . . . . . . . . -59.32 -50.39 74.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.19 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.38 -35.83 80.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.9 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' 1043 ' ' GLU . 34.8 tt0 -67.28 -51.48 52.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -67.0 -31.38 71.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.618 -0.265 . . . . 0.0 110.898 -178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -68.91 -35.61 77.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.079 0.466 . . . . 0.0 110.262 175.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -68.52 -33.87 74.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.972 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' 1039 ' ' GLN . 43.4 mt-10 -74.72 -38.42 62.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.101 177.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . 0.51 ' HB3' HD12 ' A' ' 913' ' ' LEU . . . . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.682 -0.675 . . . . 0.0 111.09 -176.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 907' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 111.646 -0.582 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 908' ' ' ILE . . . . . . . . . . . . . 14.5 tt -120.59 138.13 52.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.123 0.487 . . . . 0.0 111.163 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 909' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -127.15 83.71 65.32 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.775 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 910' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -102.86 -161.75 0.04 OUTLIER 'Trans proline' 0 N--CA 1.442 -1.546 0 C-N-CA 123.533 2.822 . . . . 0.0 112.555 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 911' ' ' PHE . . . . . 0.483 ' HB3' ' OE1' ' A' ' 915' ' ' GLN . 69.7 t80 -162.76 -45.61 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 107.458 -1.312 . . . . 0.0 107.458 176.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 912' ' ' THR . . . . . . . . . . . . . 67.1 p -127.05 173.51 9.61 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.858 -1.065 . . . . 0.0 108.865 168.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 913' ' ' LEU . . . . . 0.549 ' HA ' ' HD3' ' A' ' 916' ' ' ARG . 64.0 mt -80.15 -20.41 44.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.403 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 914' ' ' VAL . . . . . 0.568 HG11 ' HG2' ' A' ' 983' ' ' GLN . 26.3 m -87.15 -26.55 5.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -176.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 915' ' ' GLN . . . . . 0.483 ' OE1' ' HB3' ' A' ' 911' ' ' PHE . 55.5 mt-30 -67.7 -18.41 64.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.228 0.537 . . . . 0.0 110.581 178.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 916' ' ' ARG . . . . . 0.624 ' NH2' ' HA ' ' A' 1037 ' ' ALA . 20.6 mtp-105 -67.38 -34.15 76.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.691 173.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 917' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 914' ' ' VAL . 20.9 mt -70.09 -40.03 75.22 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.009 179.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 918' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 922' ' ' LYS . 83.5 mt-10 -53.75 -48.9 69.24 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.523 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 919' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -61.16 -53.96 50.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.988 179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 920' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.42 73.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.67 -175.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 921' ' ' ALA . . . . . . . . . . . . . . . -63.65 -35.31 80.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -173.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 922' ' ' LYS . . . . . 0.438 ' CG ' HG11 ' A' ' 970' ' ' VAL . 55.4 mtmt -59.36 -54.32 48.13 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.708 0.289 . . . . 0.0 111.028 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 923' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -80.5 -17.65 50.93 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.278 -177.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 924' ' ' ALA . . . . . . . . . . . . . . . -68.52 -48.89 63.18 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 172.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 925' ' ' ALA . . . . . 0.713 ' HB1' HG23 ' A' ' 963' ' ' ILE . . . -60.05 -37.6 80.31 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.663 176.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 926' ' ' ALA . . . . . . . . . . . . . . . -65.42 -54.9 21.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.911 177.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 927' ' ' SER . . . . . . . . . . . . . 42.7 m -60.29 -34.71 74.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.139 -178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 928' ' ' ALA . . . . . 0.523 ' HB2' ' HZ ' ' A' ' 993' ' ' PHE . . . -62.25 -46.3 89.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.555 176.27 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 929' ' ' THR . . . . . . . . . . . . . 42.1 m -61.31 -36.16 79.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.538 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 930' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -68.02 -40.22 82.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.715 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 931' ' ' THR . . . . . . . . . . . . . 23.5 m -66.21 -39.41 89.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.496 178.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 932' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 928' ' ' ALA . 79.2 mt -63.83 -41.64 93.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.279 176.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 933' ' ' ALA . . . . . . . . . . . . . . . -62.84 -39.48 94.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.669 177.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 934' ' ' ALA . . . . . 0.407 ' HB2' ' HG3' ' A' 1019 ' ' GLN . . . -65.7 -43.41 89.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.657 176.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 935' ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' ' 952' ' ' LEU . . . -64.24 -43.42 94.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.26 -179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 936' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -76.06 -4.91 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 0.0 111.641 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 937' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -106.8 -9.52 16.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.571 0.701 . . . . 0.0 109.302 173.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 938' ' ' ALA . . . . . 0.569 ' HB1' HD13 ' A' 1011 ' ' ILE . . . -87.11 -36.6 18.02 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.766 176.621 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 939' ' ' ALA . . . . . . . . . . . . . . . -115.2 68.92 0.71 Allowed 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.139 175.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 940' ' ' SER . . . . . . . . . . . . . 54.6 m -75.57 -41.32 55.04 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.164 179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 941' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' A' ' 942' ' ' PRO . . . -75.22 116.43 54.35 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.682 175.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 942' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 941' ' ' ALA . 24.5 Cg_exo -62.94 105.84 0.48 Allowed 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.008 2.472 . . . . 0.0 112.179 -177.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 943' ' ' LYS . . . . . 0.539 ' HA ' ' HG3' ' A' ' 949' ' ' GLN . 8.5 mtmp? 73.91 -51.32 0.69 Allowed 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.577 0.751 . . . . 0.0 111.335 -179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 944' ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' ' 943' ' ' LYS . . . 74.88 123.59 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 123.663 0.785 . . . . 0.0 110.885 -177.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 945' ' ' SER . . . . . . . . . . . . . 37.4 m -58.01 112.5 1.53 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.23 -177.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 946' ' ' ALA . . . . . . . . . . . . . . . 64.12 21.22 12.5 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.133 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 947' ' ' GLY . . . . . . . . . . . . . . . -97.58 -173.63 33.7 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.81 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 948' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -94.2 112.84 0.19 Allowed 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 123.235 2.623 . . . . 0.0 112.565 177.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 949' ' ' GLN . . . . . 0.539 ' HG3' ' HA ' ' A' ' 943' ' ' LYS . 1.0 OUTLIER -76.96 117.15 63.07 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 174.533 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 950' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -83.57 159.1 14.51 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.776 2.317 . . . . 0.0 112.605 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 951' ' ' LEU . . . . . . . . . . . . . 6.1 mp -84.19 0.02 50.34 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.734 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 952' ' ' LEU . . . . . 0.616 HD21 ' HA ' ' A' 1004 ' ' ALA . 95.6 mt -50.63 -53.24 32.4 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.573 -0.74 . . . . 0.0 111.429 -179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 953' ' ' VAL . . . . . 0.656 ' O ' ' HG3' ' A' ' 957' ' ' LYS . 48.0 t -54.24 -41.71 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.14 -176.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 954' ' ' GLN . . . . . 0.723 ' HA ' ' HE2' ' A' ' 957' ' ' LYS . 26.6 mm-40 -64.11 -52.58 58.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.884 -178.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 955' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 959' ' ' VAL . 16.7 m -64.95 -41.08 95.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.176 -178.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 956' ' ' CYS . . . . . . . . . . . . . 87.0 m -59.4 -38.12 79.76 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.606 -178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 957' ' ' LYS . . . . . 0.723 ' HE2' ' HA ' ' A' ' 954' ' ' GLN . 51.9 mtmt -56.68 -53.61 55.68 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 120.755 0.312 . . . . 0.0 110.193 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 958' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 962' ' ' GLN . . . -61.76 -48.38 80.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.277 -178.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 959' ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' ' 963' ' ' ILE . 95.6 t -59.33 -43.3 89.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.195 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 960' ' ' ALA . . . . . . . . . . . . . . . -63.03 -19.81 64.72 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.786 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 961' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 957' ' ' LYS . 66.8 mt-10 -90.34 -22.75 21.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.012 0.434 . . . . 0.0 110.616 178.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 962' ' ' GLN . . . . . 0.505 ' HG2' ' O ' ' A' ' 958' ' ' ALA . 16.3 mm100 -89.73 -25.85 20.95 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 -177.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 963' ' ' ILE . . . . . 0.713 HG23 ' HB1' ' A' ' 925' ' ' ALA . 83.2 mt -55.17 -54.25 52.55 Favored Pre-proline 0 CA--C 1.539 0.545 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.03 178.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 964' ' ' PRO . . . . . 0.465 ' HD2' ' N ' ' A' ' 963' ' ' ILE . 18.0 Cg_endo -59.04 -31.53 95.81 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.02 1.813 . . . . 0.0 112.159 177.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 965' ' ' LEU . . . . . . . . . . . . . 70.7 mt -68.64 -39.1 80.9 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.816 178.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 966' ' ' LEU . . . . . 0.602 ' O ' HG23 ' A' ' 970' ' ' VAL . 66.9 mt -57.3 -59.54 4.96 Favored 'General case' 0 CA--C 1.512 -0.485 0 CA-C-O 121.087 0.47 . . . . 0.0 109.934 173.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 967' ' ' VAL . . . . . . . . . . . . . 40.7 t -61.59 -34.19 60.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.099 -175.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 968' ' ' GLN . . . . . 0.811 HE21 ' HA ' ' A' ' 968' ' ' GLN . 0.0 OUTLIER -59.41 -43.45 93.0 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.056 0.455 . . . . 0.0 109.986 174.644 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 969' ' ' GLY . . . . . . . . . . . . . . . -69.88 -43.49 65.88 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.033 176.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 970' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 966' ' ' LEU . 58.2 t -58.11 -55.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.893 0.378 . . . . 0.0 111.057 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 971' ' ' ARG . . . . . 0.46 ' HA ' HE21 ' A' ' 974' ' ' GLN . 82.9 mtp180 -68.12 -23.66 64.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.705 -177.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 972' ' ' GLY . . . . . . . . . . . . . . . -71.6 -44.37 49.72 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.704 174.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 973' ' ' SER . . . . . . . . . . . . . 27.8 t -66.29 -34.84 78.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.87 0.367 . . . . 0.0 110.331 177.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 974' ' ' GLN . . . . . 0.46 HE21 ' HA ' ' A' ' 971' ' ' ARG . 49.0 mt-30 -65.85 -38.76 89.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.177 175.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 975' ' ' ALA . . . . . . . . . . . . . . . -66.54 -49.57 66.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.812 178.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 976' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -129.72 89.49 46.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.97 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 977' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -76.4 -4.69 15.36 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.706 2.271 . . . . 0.0 112.441 178.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 978' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -99.0 -27.99 13.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.627 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 979' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 980' ' ' PRO . 71.4 m -86.32 111.83 41.76 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.637 -173.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 980' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 979' ' ' SER . 26.5 Cg_exo -61.62 -23.55 76.59 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 123.196 2.597 . . . . 0.0 112.43 -175.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 981' ' ' SER . . . . . . . . . . . . . 2.6 m -59.5 -41.82 90.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.227 178.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 982' ' ' ALA . . . . . . . . . . . . . . . -67.55 -41.92 83.48 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.537 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 983' ' ' GLN . . . . . 0.568 ' HG2' HG11 ' A' ' 914' ' ' VAL . 2.3 mp0 -60.3 -52.38 65.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.324 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 984' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.87 -33.12 73.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.412 -177.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 985' ' ' ALA . . . . . . . . . . . . . . . -63.15 -32.23 73.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.976 0.417 . . . . 0.0 110.559 176.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 986' ' ' LEU . . . . . 0.443 HD22 ' HB3' ' A' ' 917' ' ' LEU . 2.3 tt -79.24 -47.79 15.31 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.529 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 987' ' ' ILE . . . . . 0.505 HG13 ' O ' ' A' ' 983' ' ' GLN . 73.8 mt -57.48 -50.59 76.62 Favored 'Isoleucine or valine' 0 C--O 1.233 0.196 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.28 -177.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 988' ' ' ALA . . . . . . . . . . . . . . . -64.06 -38.74 92.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.028 -178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 989' ' ' ALA . . . . . . . . . . . . . . . -65.08 -40.01 94.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 990' ' ' SER . . . . . 0.554 ' O ' ' HG ' ' A' ' 994' ' ' LEU . 37.1 m -61.92 -46.62 88.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.697 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 991' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -59.08 -43.5 91.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.237 0.541 . . . . 0.0 110.534 177.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 992' ' ' SER . . . . . . . . . . . . . 16.6 t -80.34 1.44 28.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.893 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 993' ' ' PHE . . . . . 0.523 ' HZ ' ' HB2' ' A' ' 928' ' ' ALA . 81.8 t80 -102.91 -31.37 10.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.108 0.48 . . . . 0.0 109.804 175.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 994' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 990' ' ' SER . 72.0 mt -58.39 -42.32 86.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.529 177.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 995' ' ' GLN . . . . . 0.61 ' HB3' ' HD3' ' A' ' 996' ' ' PRO . 7.8 tt0 -58.04 -64.45 2.74 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.926 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 996' ' ' PRO . . . . . 0.61 ' HD3' ' HB3' ' A' ' 995' ' ' GLN . 55.5 Cg_endo -69.93 -30.81 20.89 Favored 'Trans proline' 0 C--N 1.357 1.025 0 C-N-CA 121.677 1.585 . . . . 0.0 112.179 -179.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 997' ' ' GLY . . . . . 0.495 ' O ' HG23 ' A' 1001 ' ' VAL . . . -65.22 -53.02 35.56 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.093 179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 998' ' ' GLY . . . . . . . . . . . . . . . -62.28 -34.99 90.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.808 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 999' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -65.91 -38.31 88.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.714 -0.243 . . . . 0.0 111.076 176.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1000 ' ' MET . . . . . . . . . . . . . 51.7 ttp -72.75 -31.5 64.97 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.355 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1001 ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 997' ' ' GLY . 93.4 t -61.13 -48.64 88.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 173.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1002 ' ' ALA . . . . . . . . . . . . . . . -63.87 -44.87 91.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.701 178.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1003 ' ' ALA . . . . . . . . . . . . . . . -60.62 -41.94 95.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.954 178.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1004 ' ' ALA . . . . . 0.616 ' HA ' HD21 ' A' ' 952' ' ' LEU . . . -60.31 -48.05 83.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.535 177.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1005 ' ' LYS . . . . . . . . . . . . . 63.7 mttm -60.12 -40.57 90.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.231 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1006 ' ' ALA . . . . . . . . . . . . . . . -72.69 -17.91 61.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.533 -178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1007 ' ' SER . . . . . 0.436 ' O ' HG13 ' A' 1011 ' ' ILE . 46.2 m -87.41 -28.25 22.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.986 -179.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1008 ' ' VAL . . . . . 0.641 HG13 ' HB1' ' A' 1017 ' ' ALA . 98.9 t -51.47 -53.01 54.45 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 112.6 0.592 . . . . 0.0 112.6 -177.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1009 ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' 1008 ' ' VAL . 41.7 Cg_endo -68.1 -24.51 38.6 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 121.806 1.671 . . . . 0.0 112.847 -179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1010 ' ' THR . . . . . . . . . . . . . 63.0 p -87.04 7.49 27.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.155 0.502 . . . . 0.0 111.21 -178.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1011 ' ' ILE . . . . . 0.569 HD13 ' HB1' ' A' ' 938' ' ' ALA . 86.6 mt -119.26 129.28 75.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.868 178.13 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1012 ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -87.33 -16.07 36.13 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.046 0.45 . . . . 0.0 110.714 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1013 ' ' ASP . . . . . . . . . . . . . 12.5 t70 -80.7 114.54 19.66 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.91 -14.11 58.3 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.771 -173.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1015 ' ' ALA . . . . . . . . . . . . . . . -73.04 -49.41 28.85 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1016 ' ' SER . . . . . 0.453 ' HB3' ' HA ' ' A' ' 938' ' ' ALA . 44.0 m -67.14 -36.6 82.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.25 175.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1017 ' ' ALA . . . . . 0.641 ' HB1' HG13 ' A' 1008 ' ' VAL . . . -62.84 -47.56 82.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.337 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1018 ' ' MET . . . . . 0.51 ' HA ' ' CE ' ' A' 1018 ' ' MET . 21.2 mmt -71.17 -34.96 71.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.834 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1019 ' ' GLN . . . . . 0.407 ' HG3' ' HB2' ' A' ' 934' ' ' ALA . 8.5 tp-100 -61.75 -43.47 98.78 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 176.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1020 ' ' LEU . . . . . . . . . . . . . 17.6 mt -59.93 -50.45 73.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.23 175.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1021 ' ' SER . . . . . . . . . . . . . 41.7 t -57.13 -42.14 80.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.123 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1022 ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -69.53 -45.11 69.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.823 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1023 ' ' CYS . . . . . . . . . . . . . 77.8 m -65.67 -46.39 79.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.963 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1024 ' ' ALA . . . . . 0.431 ' HB1' HG13 ' A' 1001 ' ' VAL . . . -60.06 -35.23 74.69 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.745 0.307 . . . . 0.0 111.098 178.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1025 ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -65.38 -47.38 76.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.928 0.394 . . . . 0.0 110.458 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1026 ' ' ASN . . . . . . . . . . . . . 24.9 m-80 -66.5 -46.37 76.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.04 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 62.1 tp -60.69 -42.39 97.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.435 177.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1028 ' ' GLY . . . . . . . . . . . . . . . -58.95 -45.95 94.38 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.342 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1029 ' ' THR . . . . . . . . . . . . . 8.9 m -70.27 -34.2 72.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.065 0.46 . . . . 0.0 110.504 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1030 ' ' ALA . . . . . . . . . . . . . . . -61.1 -45.37 95.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.277 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1031 ' ' LEU . . . . . 0.415 HD22 HD23 ' A' ' 994' ' ' LEU . 96.5 mt -68.66 -32.72 72.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.62 177.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . -58.65 -49.5 77.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.047 178.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1033 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.99 -29.77 49.84 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.76 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1034 ' ' LEU . . . . . . . . . . . . . 54.1 tp -65.38 -46.0 81.82 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.541 178.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1035 ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -63.1 -47.06 84.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.607 179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1036 ' ' THR . . . . . . . . . . . . . 11.1 m -61.81 -35.82 79.32 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.153 0.501 . . . . 0.0 110.495 178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1037 ' ' ALA . . . . . 0.624 ' HA ' ' NH2' ' A' ' 916' ' ' ARG . . . -67.87 -51.24 50.45 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.56 177.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1038 ' ' ALA . . . . . . . . . . . . . . . -62.1 -38.8 90.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.264 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1039 ' ' GLN . . . . . 0.471 ' O ' ' HG2' ' A' 1043 ' ' GLU . 49.1 tt0 -56.29 -60.69 3.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.695 178.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1040 ' ' LYS . . . . . 0.485 ' O ' HD13 ' A' ' 913' ' ' LEU . 56.3 mtmt -80.82 13.75 2.5 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.633 -176.257 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1041 ' ' ALA . . . . . . . . . . . . . . . -113.15 -7.27 13.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.109 0.481 . . . . 0.0 109.951 172.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1042 ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.79 -59.77 1.8 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.484 -178.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1043 ' ' GLU . . . . . 0.471 ' HG2' ' O ' ' A' 1039 ' ' GLN . 10.9 pt-20 -88.65 2.99 52.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.923 -176.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1044 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.846 0 CA-C-O 118.17 -0.919 . . . . 0.0 109.726 179.396 . . . . . . . . 0 0 . 1 stop_ save_